copper monohydride;hexakis(triphenylphosphane)

C108H90CuP6 — CID 134992255

IUPACcopper monohydride;hexakis(triphenylphosphane)
SMILES[Cu].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h6*1-15H;
InChIKeyBNHMLYFNXVTGMD-UHFFFAOYSA-N
MW1637.30 g/mol
LogP20.67
Rot. Bonds18

About copper monohydride;hexakis(triphenylphosphane)

copper monohydride;hexakis(triphenylphosphane) (PubChem CID 134992255) has the molecular formula C108H90CuP6 and a molecular weight of 1637.30 g/mol. Its IUPAC name is copper monohydride;hexakis(triphenylphosphane).

Molecular Properties

Compound Namecopper monohydride;hexakis(triphenylphosphane)
PubChem CID134992255
Molecular FormulaC108H90CuP6
Molecular Weight1637.30 g/mol
Exact Mass1635.48
IUPAC Namecopper monohydride;hexakis(triphenylphosphane)
SMILES[Cu].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h6*1-15H;
InChIKeyBNHMLYFNXVTGMD-UHFFFAOYSA-N
XLogP20.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001637.30
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze copper monohydride;hexakis(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

triphenylphosphane
CID 139056248
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742
platinum;triphenylphosphane
CID 159264630

Frequently Asked Questions

What is the IUPAC name of copper monohydride;hexakis(triphenylphosphane)?
The IUPAC name of copper monohydride;hexakis(triphenylphosphane) (CID 134992255) is copper monohydride;hexakis(triphenylphosphane).
What is the SMILES notation for copper monohydride;hexakis(triphenylphosphane)?
The canonical SMILES for copper monohydride;hexakis(triphenylphosphane) is [Cu].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper monohydride;hexakis(triphenylphosphane)?
The InChIKey is BNHMLYFNXVTGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H15P.Cu/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h6*1-15H;.
What are the key properties of copper monohydride;hexakis(triphenylphosphane)?
copper monohydride;hexakis(triphenylphosphane) has a molecular weight of 1637.30 g/mol, XLogP of 20.67, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper monohydride;hexakis(triphenylphosphane) is sourced from PubChem (CID 134992255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).