copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)

C60H46CuN2P2+ — CID 158177227

IUPACcopper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)
SMILES[Cu+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H16N2.2C18H15P.Cu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-16H;2*1-15H;/q;;;+1
InChIKeyFYDLOHYLSPSJKZ-UHFFFAOYSA-N
MW920.54 g/mol
LogP13.00
Rot. Bonds8

About copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)

copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane) (PubChem CID 158177227) has the molecular formula C60H46CuN2P2+ and a molecular weight of 920.54 g/mol. Its IUPAC name is copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane).

Molecular Properties

Compound Namecopper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)
PubChem CID158177227
Molecular FormulaC60H46CuN2P2+
Molecular Weight920.54 g/mol
Exact Mass919.24
IUPAC Namecopper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)
SMILES[Cu+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H16N2.2C18H15P.Cu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-16H;2*1-15H;/q;;;+1
InChIKeyFYDLOHYLSPSJKZ-UHFFFAOYSA-N
XLogP13.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.54
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane) 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

4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712
4-bromo-7-phenyl-1,10-phenanthroline
CID 18759599
4-[4-(7-phenyl-1,10-phenanthrolin-4-yl)phenyl]aniline
CID 102574675
tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid
CID 173166760
aluminum tris(4-phenylquinolin-8-olate)
CID 101048489
3-[3-(4,7-diphenyl-1,10-phenanthrolin-3-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline
CID 146248672
dichloro(diethyl)stannane;4,7-diphenyl-1,10-phenanthroline
CID 4574299
4-benzyl-7-phenyl-1,10-phenanthroline
CID 142216618

Frequently Asked Questions

What is the IUPAC name of copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)?
The IUPAC name of copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane) (CID 158177227) is copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane).
What is the SMILES notation for copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)?
The canonical SMILES for copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane) is [Cu+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)?
The InChIKey is FYDLOHYLSPSJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2.2C18H15P.Cu/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-16H;2*1-15H;/q;;;+1.
What are the key properties of copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane)?
copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane) has a molecular weight of 920.54 g/mol, XLogP of 13.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);4,7-diphenyl-1,10-phenanthroline;bis(triphenylphosphane) is sourced from PubChem (CID 158177227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).