5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide

• CAS: 14705-63-6
• Catalog Number: ACM14705636-1
• Category: Organic & Printed Electronics
• Molecular Weight: 679.7
• Molecular Formula: C44H28N4OV
• Synonyms: Vanadyl (IV) mesotetraphenylporphine
• IUPAC Name: oxovanadium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O=[V+2]
• InChI: InChI=1S/C44H28N4.O.V/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2
• InChI Key: WDCQRRQLLCXEFB-UHFFFAOYSA-N
• Appearance: Crystalline
• Complexity: 1360
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• Exact Mass: 679.170269
• H-Bond Acceptor: 5
• Heavy Atom Count: 50
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 679.170269
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 43.8 Ų

Custom Reviews

March 7, 2023

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Gas sensor film material
By chemical deposition, the thin film prepared by 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide can be used to detect methane gas by sensors.

Custom Q&A

What is the molecular formula of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The molecular formula is C44H28N4OV.

What is the PubChem CID of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The PubChem CID is 2733357.

What is the molecular weight of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The molecular weight is 679.7 g/mol.

What is the IUPAC name of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The IUPAC name is oxovanadium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide.

What is the InChI key of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The InChI key is WDCQRRQLLCXEFB-UHFFFAOYSA-N.

What is the canonical SMILES of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The canonical SMILES is C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.O=[V+2].

What is the hydrogen bond donor count of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The hydrogen bond acceptor count is 5.

What is the rotatable bond count of 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide?

The rotatable bond count is 4.

Is 5,10,15,20-Tetraphenyl-21H,23H-porphine vanadium(IV) oxide a canonicalized compound?

Yes, it is a canonicalized compound.