chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)

C38H30ClIrO2P2+2 — CID 88761085

IUPACchloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)
SMILESCl[Ir+2].O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C19H15OP.ClH.Ir/c2*20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;;/h2*1-15H;1H;/q;;;+3/p-1
InChIKeyKYMYSDJPTWVWBV-UHFFFAOYSA-M
MW808.27 g/mol
LogP6.78
Rot. Bonds6

About chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)

chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone) (PubChem CID 88761085) has the molecular formula C38H30ClIrO2P2+2 and a molecular weight of 808.27 g/mol. Its IUPAC name is chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone).

Molecular Properties

Compound Namechloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)
PubChem CID88761085
Molecular FormulaC38H30ClIrO2P2+2
Molecular Weight808.27 g/mol
Exact Mass808.10
IUPAC Namechloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)
SMILESCl[Ir+2].O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C19H15OP.ClH.Ir/c2*20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;;/h2*1-15H;1H;/q;;;+3/p-1
InChIKeyKYMYSDJPTWVWBV-UHFFFAOYSA-M
XLogP6.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.27
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

trichlororhodium;triphenylarsane;(triphenyl-λ5-phosphanylidene)methanone
CID 162166641
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
triphenyl(2-phenylethenylidene)-λ5-phosphane
CID 12530584
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
diphenylphosphorylbenzene;terbium
CID 86595283
1-[(1-amino-1-chloroethyl)-phenylphosphoryl]-1-chloroethanamine
CID 168876205
diphenylmethanediamine;isocyanic acid
CID 88520977
2,2,2-trichloro-1-[phenyl-(2,2,2-trichloro-1-hydroxyethyl)phosphoryl]ethanol
CID 2783809
diphenylphosphorylazanide
CID 18705552
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
iodo-(triphenyl-λ5-phosphanylidene)iron;nitroxyl anion
CID 50909156
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654

Frequently Asked Questions

What is the IUPAC name of chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)?
The IUPAC name of chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone) (CID 88761085) is chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone).
What is the SMILES notation for chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)?
The canonical SMILES for chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone) is Cl[Ir+2].O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)?
The InChIKey is KYMYSDJPTWVWBV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C19H15OP.ClH.Ir/c2*20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;;/h2*1-15H;1H;/q;;;+3/p-1.
What are the key properties of chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone)?
chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone) has a molecular weight of 808.27 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroiridium(2+);bis((triphenyl-λ5-phosphanylidene)methanone) is sourced from PubChem (CID 88761085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).