[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane

C43H42P2 — CID 101382224

IUPAC[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)[C@H](C[C@H](c2ccccc2)P(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C43H42P2/c1-32-15-23-38(24-16-32)44(39-25-17-33(2)18-26-39)42(36-11-7-5-8-12-36)31-43(37-13-9-6-10-14-37)45(40-27-19-34(3)20-28-40)41-29-21-35(4)22-30-41/h5-30,42-43H,31H2,1-4H3/t42-,43-/m1/s1
InChIKeyGFGZHQCWZWATGF-OCQXTOTRSA-N
MW620.76 g/mol
LogP10.36
Rot. Bonds10

About [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane

[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane (PubChem CID 101382224) has the molecular formula C43H42P2 and a molecular weight of 620.76 g/mol. Its IUPAC name is [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane.

Molecular Properties

Compound Name[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane
PubChem CID101382224
Molecular FormulaC43H42P2
Molecular Weight620.76 g/mol
Exact Mass620.28
IUPAC Name[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)[C@H](C[C@H](c2ccccc2)P(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C43H42P2/c1-32-15-23-38(24-16-32)44(39-25-17-33(2)18-26-39)42(36-11-7-5-8-12-36)31-43(37-13-9-6-10-14-37)45(40-27-19-34(3)20-28-40)41-29-21-35(4)22-30-41/h5-30,42-43H,31H2,1-4H3/t42-,43-/m1/s1
InChIKeyGFGZHQCWZWATGF-OCQXTOTRSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.76
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane 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

3-diphenylphosphanyl-1-methoxy-3-phenylpropan-1-ol
CID 139228235
[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane
CID 11967243
(3-diphenylphosphanyl-1-phenylpropyl)-diphenylphosphane
CID 141367967
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
[(R)-(4-methylphenyl)sulfinyl-phenylmethyl]-diphenylphosphane
CID 101484176
CID 73212099
CID 73212099
benzene;bis(1,4-xylene)
CID 159472747
[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 7127648
1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
CID 169434588
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
radon;toluene;1,4-xylene
CID 174747246
bis(N,N-dimethylcarbamodithioate);[(1R)-2-diphenylphosphanyl-1-phenylethyl]-diphenylphosphane;ruthenium(2+)
CID 11967242

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane?
The IUPAC name of [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane (CID 101382224) is [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane.
What is the SMILES notation for [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane?
The canonical SMILES for [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane is Cc1ccc(P(c2ccc(C)cc2)[C@H](C[C@H](c2ccccc2)P(c2ccc(C)cc2)c2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane?
The InChIKey is GFGZHQCWZWATGF-OCQXTOTRSA-N. The full InChI is InChI=1S/C43H42P2/c1-32-15-23-38(24-16-32)44(39-25-17-33(2)18-26-39)42(36-11-7-5-8-12-36)31-43(37-13-9-6-10-14-37)45(40-27-19-34(3)20-28-40)41-29-21-35(4)22-30-41/h5-30,42-43H,31H2,1-4H3/t42-,43-/m1/s1.
What are the key properties of [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane?
[(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane has a molecular weight of 620.76 g/mol, XLogP of 10.36, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-bis(4-methylphenyl)phosphanyl-1,3-diphenylpropyl]-bis(4-methylphenyl)phosphane is sourced from PubChem (CID 101382224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).