(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate

• CAS: 38465-86-0
• Catalog Number: ACM38465860-1
• Category: Iridium series of catalysts
• Molecular Weight: 845.8
• Molecular Formula: C34H38F6IrP3
• Synonyms: (1Z,5Z)-Cycloocta-1,5-diene;iridium;methyl(diphenyl)phosphane;hexafluorophosphate
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;iridium;methyl(diphenyl)phosphane;hexafluorophosphate
• Canonical SMILES: CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.C1CC=CCCC=C1.F[P-](F)(F)(F)(F)F.[Ir]
• InChI: InChI=1S/2C13H13P.C8H12.F6P.Ir/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h2*2-11H,1H3;1-2,7-8H,3-6H2;/q;-1;/b;2-1-,8-7-
• InChI Key: MUHONFFTSOCMDH-JXNOXZOESA-N
• Melting Point: 224 °C
• Appearance: Powder
• Complexity: 272
• Covalently-Bonded Unit Count: 5
• Defined Bond Stereocenter Count: 2
• Exact Mass: 846.17198
• Formal Charge: -1
• H-Bond Acceptor: 7
• Heavy Atom Count: 44
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.C1/C=C\CC/C=C\C1.F[P-](F)(F)(F)(F)F.[Ir]
• Monoisotopic Mass: 846.17198
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 0 Ų

Custom Q&A

What is the molecular formula of (1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate?

The molecular formula is C34H38F6IrP3.

What is the molecular weight of the compound?

The molecular weight is 845.8 g/mol.

What are the synonyms for (1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate?

The synonyms include 38465-86-0, (1Z,5Z)-cycloocta-1,5-diene;iridium;methyl(diphenyl)phosphane;hexafluorophosphate, MFCD00064800, and more.

When was this compound created and last modified?

It was created on 2005-07-19 and last modified on 2023-12-30.

What are some component compounds of (1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate?

The component compounds are Hexafluorophosphate, Iridium, 1,5-Cyclooctadiene, and Methyldiphenylphosphine.

What is the InChIKey of the compound?

The InChIKey is MUHONFFTSOCMDH-JXNOXZOESA-N.

What is the hydrogen bond donor count of the compound?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor count does the compound have?

It has 7 hydrogen bond acceptor counts.

What is the exact mass of (1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate?

The exact mass is 846.17198 g/mol.

How many rotatable bond counts does the compound have?

It has 4 rotatable bond counts.