(R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane

C38H46P2 — CID 173338379

IUPAC(R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane
SMILESCC1=C(c2ccccc2C)C([P@](C2CCCCC2)[P@@](c2ccc(-c3ccccc3)cc2)C2CCCCC2)CC=C1
InChIInChI=1S/C38H46P2/c1-29-15-12-13-23-36(29)38-30(2)16-14-24-37(38)40(34-21-10-5-11-22-34)39(33-19-8-4-9-20-33)35-27-25-32(26-28-35)31-17-6-3-7-18-31/h3,6-7,12-18,23,25-28,33-34,37H,4-5,8-11,19-22,24H2,1-2H3/t37?,39-,40+/m1/s1
InChIKeyVYNYPWPVQXOHHY-RGVRLXPNSA-N
MW564.73 g/mol
LogP11.63
Rot. Bonds7

About (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane

(R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane (PubChem CID 173338379) has the molecular formula C38H46P2 and a molecular weight of 564.73 g/mol. Its IUPAC name is (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane.

Molecular Properties

Compound Name(R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane
PubChem CID173338379
Molecular FormulaC38H46P2
Molecular Weight564.73 g/mol
Exact Mass564.31
IUPAC Name(R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane
SMILESCC1=C(c2ccccc2C)C([P@](C2CCCCC2)[P@@](c2ccc(-c3ccccc3)cc2)C2CCCCC2)CC=C1
InChIInChI=1S/C38H46P2/c1-29-15-12-13-23-36(29)38-30(2)16-14-24-37(38)40(34-21-10-5-11-22-34)39(33-19-8-4-9-20-33)35-27-25-32(26-28-35)31-17-6-3-7-18-31/h3,6-7,12-18,23,25-28,33-34,37H,4-5,8-11,19-22,24H2,1-2H3/t37?,39-,40+/m1/s1
InChIKeyVYNYPWPVQXOHHY-RGVRLXPNSA-N
XLogP11.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane?
The IUPAC name of (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane (CID 173338379) is (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane.
What is the SMILES notation for (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane?
The canonical SMILES for (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane is CC1=C(c2ccccc2C)C([P@](C2CCCCC2)[P@@](c2ccc(-c3ccccc3)cc2)C2CCCCC2)CC=C1.
What is the InChIKey of (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane?
The InChIKey is VYNYPWPVQXOHHY-RGVRLXPNSA-N. The full InChI is InChI=1S/C38H46P2/c1-29-15-12-13-23-36(29)38-30(2)16-14-24-37(38)40(34-21-10-5-11-22-34)39(33-19-8-4-9-20-33)35-27-25-32(26-28-35)31-17-6-3-7-18-31/h3,6-7,12-18,23,25-28,33-34,37H,4-5,8-11,19-22,24H2,1-2H3/t37?,39-,40+/m1/s1.
What are the key properties of (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane?
(R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane has a molecular weight of 564.73 g/mol, XLogP of 11.63, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[cyclohexyl-[3-methyl-2-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]phosphanyl]-(4-phenylphenyl)phosphane is sourced from PubChem (CID 173338379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).