CID 134902003

C56H56Au4P4S8-8 — CID 134902003

IUPAC—
SMILES[Au].[Au].[Au].[Au].[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[S-]SS[S-].[S-]SS[S-]
InChIInChI=1S/4C14H14P.4Au.2H2S4/c4*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;;2*1-3-4-2/h4*3-12H,1-2H2;;;;;2*1-2H/q4*-1;;;;;;/p-4
InChIKeyWAKCCKUUROLQRK-UHFFFAOYSA-J
MW1897.36 g/mol
LogP15.53
Rot. Bonds10

About CID 134902003

CID 134902003 (PubChem CID 134902003) has the molecular formula C56H56Au4P4S8-8 and a molecular weight of 1897.36 g/mol.

Molecular Properties

Compound NameCID 134902003
PubChem CID134902003
Molecular FormulaC56H56Au4P4S8-8
Molecular Weight1897.36 g/mol
Exact Mass1895.98
IUPAC Name—
SMILES[Au].[Au].[Au].[Au].[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[S-]SS[S-].[S-]SS[S-]
InChIInChI=1S/4C14H14P.4Au.2H2S4/c4*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;;2*1-3-4-2/h4*3-12H,1-2H2;;;;;2*1-2H/q4*-1;;;;;;/p-4
InChIKeyWAKCCKUUROLQRK-UHFFFAOYSA-J
XLogP15.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001897.36
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 134902003?
The IUPAC name of CID 134902003 (CID 134902003) is not available.
What is the SMILES notation for CID 134902003?
The canonical SMILES for CID 134902003 is [Au].[Au].[Au].[Au].[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[CH2-][P+]([CH2-])(c1ccccc1)c1ccccc1.[S-]SS[S-].[S-]SS[S-].
What is the InChIKey of CID 134902003?
The InChIKey is WAKCCKUUROLQRK-UHFFFAOYSA-J. The full InChI is InChI=1S/4C14H14P.4Au.2H2S4/c4*1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;;2*1-3-4-2/h4*3-12H,1-2H2;;;;;2*1-2H/q4*-1;;;;;;/p-4.
What are the key properties of CID 134902003?
CID 134902003 has a molecular weight of 1897.36 g/mol, XLogP of 15.53, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902003 is sourced from PubChem (CID 134902003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).