[(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane

C36H40P2 — CID 89352788

IUPAC[(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane
SMILESC=P(C[C@@H]1[C@@H]2C[C@H](C[C@@H]1P(=C)(c1ccccc1)c1ccccc1)C2(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H40P2/c1-36(2)28-25-34(36)33(27-37(3,29-17-9-5-10-18-29)30-19-11-6-12-20-30)35(26-28)38(4,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,28,33-35H,3-4,25-27H2,1-2H3/t28-,33-,34+,35+/m1/s1
InChIKeyXWARHRUSAORJOH-NORWVEROSA-N
MW534.66 g/mol
LogP7.24
Rot. Bonds7

About [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane

[(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane (PubChem CID 89352788) has the molecular formula C36H40P2 and a molecular weight of 534.66 g/mol. Its IUPAC name is [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane.

Molecular Properties

Compound Name[(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane
PubChem CID89352788
Molecular FormulaC36H40P2
Molecular Weight534.66 g/mol
Exact Mass534.26
IUPAC Name[(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane
SMILESC=P(C[C@@H]1[C@@H]2C[C@H](C[C@@H]1P(=C)(c1ccccc1)c1ccccc1)C2(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H40P2/c1-36(2)28-25-34(36)33(27-37(3,29-17-9-5-10-18-29)30-19-11-6-12-20-30)35(26-28)38(4,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,28,33-35H,3-4,25-27H2,1-2H3/t28-,33-,34+,35+/m1/s1
InChIKeyXWARHRUSAORJOH-NORWVEROSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-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 [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane?
The IUPAC name of [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane (CID 89352788) is [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane.
What is the SMILES notation for [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane?
The canonical SMILES for [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane is C=P(C[C@@H]1[C@@H]2C[C@H](C[C@@H]1P(=C)(c1ccccc1)c1ccccc1)C2(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane?
The InChIKey is XWARHRUSAORJOH-NORWVEROSA-N. The full InChI is InChI=1S/C36H40P2/c1-36(2)28-25-34(36)33(27-37(3,29-17-9-5-10-18-29)30-19-11-6-12-20-30)35(26-28)38(4,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-24,28,33-35H,3-4,25-27H2,1-2H3/t28-,33-,34+,35+/m1/s1.
What are the key properties of [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane?
[(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane has a molecular weight of 534.66 g/mol, XLogP of 7.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S,5R)-6,6-dimethyl-3-[methylidene(diphenyl)-λ5-phosphanyl]-2-bicyclo[3.1.1]heptanyl]methyl-methylidene-diphenyl-λ5-phosphane is sourced from PubChem (CID 89352788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).