2 3 7 8 12 13 17 18-Octaethyl-21h 23h-

• CAS: 14409-63-3
• Catalog Number: ACM14409633
• Category: Organic & Printed Electronics
• Molecular Weight: 596.3g/mol
• Molecular Formula: C36H44CuN4
• Synonyms: Copper octaethylporphyrin;Cu-OEP complex;2 3 7 8 12 13 17 18-OCTAETHYL-21H 23H-;2,3,7,8,12,13,17,18-OCTAETHYL-21H,23H-PO RPHINE COPPER(II), SYNTHETIC;((2,3,7,8,12,13,17,18)-octaethylporphinato)copper (II);Cu(II) Octaethylporphine;2,3,7,8,12,13,17,18-Octae
• IUPAC Name: copper;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide
• Canonical SMILES: CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[Cu+2]
• InChI: InChI=1S/C36H44N4.Cu/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2
• InChI Key: WYWUPEFEFRBNGN-UHFFFAOYSA-N
• Complexity: 1150
• Covalently-Bonded Unit Count: 2
• Exact Mass: 595.286195g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 41
• Monoisotopic Mass: 595.286195g/mol
• Rotatable Bond Count: 8

Custom Q&A

What is the PubChem CID of the compound?

The PubChem CID of the compound is 526505.

What is the molecular formula of the compound?

The molecular formula of the compound is C36H44CuN4.

What is the molecular weight of the compound?

The molecular weight of the compound is 596.3 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is copper;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide.

What is the InChIKey of the compound?

The InChIKey of the compound is WYWUPEFEFRBNGN-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)C(=C3CC)CC)CC.[Cu+2].

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 8 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 26.7Ų.