CID 24746372

C51H40Cl2P2Ru — CID 24746372

IUPAC—
SMILESCl[Ru]Cl.[C]1C=C(c2ccccc2)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*1-15H;1-9,11H;2*1H;/q;;;;;+2/p-2
InChIKeyOSXYZGLDXSALQC-UHFFFAOYSA-L
MW886.81 g/mol
LogP11.83
Rot. Bonds7

About CID 24746372

CID 24746372 (PubChem CID 24746372) has the molecular formula C51H40Cl2P2Ru and a molecular weight of 886.81 g/mol.

Molecular Properties

Compound NameCID 24746372
PubChem CID24746372
Molecular FormulaC51H40Cl2P2Ru
Molecular Weight886.81 g/mol
Exact Mass886.10
IUPAC Name—
SMILESCl[Ru]Cl.[C]1C=C(c2ccccc2)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*1-15H;1-9,11H;2*1H;/q;;;;;+2/p-2
InChIKeyOSXYZGLDXSALQC-UHFFFAOYSA-L
XLogP11.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.81
LogP ≤ 511.83
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

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Frequently Asked Questions

What is the IUPAC name of CID 24746372?
The IUPAC name of CID 24746372 (CID 24746372) is not available.
What is the SMILES notation for CID 24746372?
The canonical SMILES for CID 24746372 is Cl[Ru]Cl.[C]1C=C(c2ccccc2)c2ccccc21.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 24746372?
The InChIKey is OSXYZGLDXSALQC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*1-15H;1-9,11H;2*1H;/q;;;;;+2/p-2.
What are the key properties of CID 24746372?
CID 24746372 has a molecular weight of 886.81 g/mol, XLogP of 11.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24746372 is sourced from PubChem (CID 24746372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).