CID 146163537

C52H52P4RhS2+4 — CID 146163537

IUPAC—
SMILES[Rh+2].[S-][S-].c1ccc([PH+](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+4
InChIKeyDJXYRVIBQJXLFA-UHFFFAOYSA-R
MW967.92 g/mol
LogP9.43
Rot. Bonds14

About CID 146163537

CID 146163537 (PubChem CID 146163537) has the molecular formula C52H52P4RhS2+4 and a molecular weight of 967.92 g/mol.

Molecular Properties

Compound NameCID 146163537
PubChem CID146163537
Molecular FormulaC52H52P4RhS2+4
Molecular Weight967.92 g/mol
Exact Mass967.15
IUPAC Name—
SMILES[Rh+2].[S-][S-].c1ccc([PH+](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+4
InChIKeyDJXYRVIBQJXLFA-UHFFFAOYSA-R
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.92
LogP ≤ 59.43
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 146163537?
The IUPAC name of CID 146163537 (CID 146163537) is not available.
What is the SMILES notation for CID 146163537?
The canonical SMILES for CID 146163537 is [Rh+2].[S-][S-].c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 146163537?
The InChIKey is DJXYRVIBQJXLFA-UHFFFAOYSA-R. 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+4.
What are the key properties of CID 146163537?
CID 146163537 has a molecular weight of 967.92 g/mol, XLogP of 9.43, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146163537 is sourced from PubChem (CID 146163537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).