CID 134848505

C52H51P4RhS2+3 — CID 134848505

IUPAC—
SMILES[Rh+2].[S-][S-].c1ccc(P(CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.Rh.S2/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;1-2/h2*1-20H,21-22H2;;/q;;+2;-2/p+3
InChIKeyDJXYRVIBQJXLFA-UHFFFAOYSA-Q
MW966.92 g/mol
LogP9.69
Rot. Bonds14

About CID 134848505

CID 134848505 (PubChem CID 134848505) has the molecular formula C52H51P4RhS2+3 and a molecular weight of 966.92 g/mol.

Molecular Properties

Compound NameCID 134848505
PubChem CID134848505
Molecular FormulaC52H51P4RhS2+3
Molecular Weight966.92 g/mol
Exact Mass966.14
IUPAC Name—
SMILES[Rh+2].[S-][S-].c1ccc(P(CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C26H24P2.Rh.S2/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;1-2/h2*1-20H,21-22H2;;/q;;+2;-2/p+3
InChIKeyDJXYRVIBQJXLFA-UHFFFAOYSA-Q
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.92
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134848505?
The IUPAC name of CID 134848505 (CID 134848505) is not available.
What is the SMILES notation for CID 134848505?
The canonical SMILES for CID 134848505 is [Rh+2].[S-][S-].c1ccc(P(CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 134848505?
The InChIKey is DJXYRVIBQJXLFA-UHFFFAOYSA-Q. The full InChI is InChI=1S/2C26H24P2.Rh.S2/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;1-2/h2*1-20H,21-22H2;;/q;;+2;-2/p+3.
What are the key properties of CID 134848505?
CID 134848505 has a molecular weight of 966.92 g/mol, XLogP of 9.69, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134848505 is sourced from PubChem (CID 134848505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).