C30H27ClP2Ru

C30H27ClP2Ru — CID 175687671

IUPAC—
SMILES[CH]1C=CC=C1.[Cl-].[Ru+].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.C5H5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;1-5H;1H;/q;;;+1/p-1
InChIKeyNFGZGIRSDQBCFT-UHFFFAOYSA-M
MW586.02 g/mol
LogP3.53
Rot. Bonds6

About C30H27ClP2Ru

C30H27ClP2Ru (PubChem CID 175687671) has the molecular formula C30H27ClP2Ru and a molecular weight of 586.02 g/mol.

Molecular Properties

Compound NameC30H27ClP2Ru
PubChem CID175687671
Molecular FormulaC30H27ClP2Ru
Molecular Weight586.02 g/mol
Exact Mass586.03
IUPAC Name—
SMILES[CH]1C=CC=C1.[Cl-].[Ru+].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.C5H5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;1-5H;1H;/q;;;+1/p-1
InChIKeyNFGZGIRSDQBCFT-UHFFFAOYSA-M
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.02
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
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diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
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diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
CID 11365296
CID 11365296
chlororuthenium;cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
CID 138393078
CID 134882622
CID 134882622
bis(diphenylphosphanylmethyl)-trimethylsilylphosphane
CID 578775
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
CID 84819438
diphenylphosphanylmethanethiol
CID 11230015
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349

Frequently Asked Questions

What is the IUPAC name of C30H27ClP2Ru?
The IUPAC name of C30H27ClP2Ru (CID 175687671) is not available.
What is the SMILES notation for C30H27ClP2Ru?
The canonical SMILES for C30H27ClP2Ru is [CH]1C=CC=C1.[Cl-].[Ru+].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of C30H27ClP2Ru?
The InChIKey is NFGZGIRSDQBCFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22P2.C5H5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;1-5H;1H;/q;;;+1/p-1.
What are the key properties of C30H27ClP2Ru?
C30H27ClP2Ru has a molecular weight of 586.02 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for C30H27ClP2Ru is sourced from PubChem (CID 175687671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).