CID 11365296

C30H27ClP2Ru+ — CID 11365296

IUPAC—
SMILESCl[Ru+].[CH]1[CH][CH][CH][CH]1.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;;;+2/p-1
InChIKeyDBKJVNYMZRRVJZ-UHFFFAOYSA-M
MW586.02 g/mol
LogP6.92
Rot. Bonds6

About CID 11365296

CID 11365296 (PubChem CID 11365296) has the molecular formula C30H27ClP2Ru+ and a molecular weight of 586.02 g/mol.

Molecular Properties

Compound NameCID 11365296
PubChem CID11365296
Molecular FormulaC30H27ClP2Ru+
Molecular Weight586.02 g/mol
Exact Mass586.03
IUPAC Name—
SMILESCl[Ru+].[CH]1[CH][CH][CH][CH]1.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;;;+2/p-1
InChIKeyDBKJVNYMZRRVJZ-UHFFFAOYSA-M
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.02
LogP ≤ 56.92
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;ruthenium
CID 87761562
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
CID 71678326
C30H27ClP2Ru
CID 175687671
chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
CID 84819438
chlororuthenium;cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
CID 138393078
tris(diphenylphosphanylmethyl)azanium
CID 132563502
chloronickel;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 12000429
bis(diphenylphosphanylmethyl)-trimethylsilylphosphane
CID 578775
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethanethiol
CID 11230015
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421

Frequently Asked Questions

What is the IUPAC name of CID 11365296?
The IUPAC name of CID 11365296 (CID 11365296) is not available.
What is the SMILES notation for CID 11365296?
The canonical SMILES for CID 11365296 is Cl[Ru+].[CH]1[CH][CH][CH][CH]1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 11365296?
The InChIKey is DBKJVNYMZRRVJZ-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;;;+2/p-1.
What are the key properties of CID 11365296?
CID 11365296 has a molecular weight of 586.02 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11365296 is sourced from PubChem (CID 11365296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).