[(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane

C31H28P2 — CID 121418974

IUPAC[(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane
SMILESC1=C2CC(C1)[C@@H](P(c1ccccc1)c1ccccc1)[C@@H]2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-21,25,30-31H,22-23H2/t25?,30-,31-/m1/s1
InChIKeyZIAOVIMJQSVLRJ-WDDQFJLLSA-N
MW462.51 g/mol
LogP6.34
Rot. Bonds6

About [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane

[(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane (PubChem CID 121418974) has the molecular formula C31H28P2 and a molecular weight of 462.51 g/mol. Its IUPAC name is [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane.

Molecular Properties

Compound Name[(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane
PubChem CID121418974
Molecular FormulaC31H28P2
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC Name[(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane
SMILESC1=C2CC(C1)[C@@H](P(c1ccccc1)c1ccccc1)[C@@H]2P(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-21,25,30-31H,22-23H2/t25?,30-,31-/m1/s1
InChIKeyZIAOVIMJQSVLRJ-WDDQFJLLSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-bicyclo[4.1.0]heptanyl(diphenyl)phosphane
CID 13406447
bis(cyclopentyl(diphenyl)phosphane);dichloromethane
CID 160785084
cyclononyl(diphenyl)phosphane
CID 70908257
diphenyl(4-tricyclo[5.2.1.02,6]decanyl)phosphane
CID 117070680
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
cyclohexa-2,4-dien-1-yl(diphenyl)phosphane
CID 4298218
[(1R,2R,3R,4R)-2,3-bis(diphenylphosphanyl)-4-diphenylphosphinothioylcyclobutyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 139155278
carbon monoxide;bis(cyclopentyl(diphenyl)phosphane);iron;molybdenum
CID 117059135
(1R,5S,6R,8S)-6,8-bis(diphenylphosphanyl)-3,9-dioxabicyclo[3.3.1]nonan-7-ol
CID 11375690
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-diphenylphosphane
CID 102055643
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
2-[[(1S,2S,3S,4R)-2,3-bis(diphenylphosphanyl)-7-bicyclo[2.2.1]heptanyl]oxy]-N,N-diethylethanamine
CID 11813887

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane?
The IUPAC name of [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane (CID 121418974) is [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane.
What is the SMILES notation for [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane?
The canonical SMILES for [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane is C1=C2CC(C1)[C@@H](P(c1ccccc1)c1ccccc1)[C@@H]2P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane?
The InChIKey is ZIAOVIMJQSVLRJ-WDDQFJLLSA-N. The full InChI is InChI=1S/C31H28P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-21,25,30-31H,22-23H2/t25?,30-,31-/m1/s1.
What are the key properties of [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane?
[(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane has a molecular weight of 462.51 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-1(6)-enyl]-diphenylphosphane is sourced from PubChem (CID 121418974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).