CID 139253250

C39H45AuCl2CuN2P — CID 139253250

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C(P(c2ccccc2)c2ccccc2)=C1.Cl[Au].Cl[Cu]
InChIInChI=1S/C39H45N2P.Au.2ClH.Cu/c1-27(2)33-21-15-22-34(28(3)4)38(33)40-25-37(42(31-17-11-9-12-18-31)32-19-13-10-14-20-32)41(26-40)39-35(29(5)6)23-16-24-36(39)30(7)8;;;;/h9-25,27-30H,1-8H3;;2*1H;/q;+1;;;+1/p-2
InChIKeyHFMPZZXBLFJADT-UHFFFAOYSA-L
MW904.20 g/mol
LogP11.81
Rot. Bonds9

About CID 139253250

CID 139253250 (PubChem CID 139253250) has the molecular formula C39H45AuCl2CuN2P and a molecular weight of 904.20 g/mol.

Molecular Properties

Compound NameCID 139253250
PubChem CID139253250
Molecular FormulaC39H45AuCl2CuN2P
Molecular Weight904.20 g/mol
Exact Mass902.17
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C(P(c2ccccc2)c2ccccc2)=C1.Cl[Au].Cl[Cu]
InChIInChI=1S/C39H45N2P.Au.2ClH.Cu/c1-27(2)33-21-15-22-34(28(3)4)38(33)40-25-37(42(31-17-11-9-12-18-31)32-19-13-10-14-20-32)41(26-40)39-35(29(5)6)23-16-24-36(39)30(7)8;;;;/h9-25,27-30H,1-8H3;;2*1H;/q;+1;;;+1/p-2
InChIKeyHFMPZZXBLFJADT-UHFFFAOYSA-L
XLogP11.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.20
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 139253250 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 139253249
CID 139253249
CID 139240143
CID 139240143
CID 71560960
CID 71560960
CID 139249420
CID 139249420
CID 15984603
CID 15984603
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-3-ium-2-ide;chlorogold
CID 167354253
chlorogold;triphenylphosphane
CID 10874691
CID 11513525
CID 11513525
CID 139241153
CID 139241153
CID 177388074
CID 177388074
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]cobalt
CID 155661815
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965

Frequently Asked Questions

What is the IUPAC name of CID 139253250?
The IUPAC name of CID 139253250 (CID 139253250) is not available.
What is the SMILES notation for CID 139253250?
The canonical SMILES for CID 139253250 is CC(C)c1cccc(C(C)C)c1N1[C]N(c2c(C(C)C)cccc2C(C)C)C(P(c2ccccc2)c2ccccc2)=C1.Cl[Au].Cl[Cu].
What is the InChIKey of CID 139253250?
The InChIKey is HFMPZZXBLFJADT-UHFFFAOYSA-L. The full InChI is InChI=1S/C39H45N2P.Au.2ClH.Cu/c1-27(2)33-21-15-22-34(28(3)4)38(33)40-25-37(42(31-17-11-9-12-18-31)32-19-13-10-14-20-32)41(26-40)39-35(29(5)6)23-16-24-36(39)30(7)8;;;;/h9-25,27-30H,1-8H3;;2*1H;/q;+1;;;+1/p-2.
What are the key properties of CID 139253250?
CID 139253250 has a molecular weight of 904.20 g/mol, XLogP of 11.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139253250 is sourced from PubChem (CID 139253250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).