[(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane

C31H28P2 — CID 102256208

IUPAC[(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane
SMILESc1ccc(P(C2=C(P(c3ccccc3)c3ccccc3)[C@H]3CC[C@H]2C3)c2ccccc2)cc1
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/h1-20,24-25H,21-23H2/t24-,25-/m0/s1
InChIKeyLRXODOBTEMJJAP-DQEYMECFSA-N
MW462.51 g/mol
LogP6.89
Rot. Bonds6

About [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane

[(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane (PubChem CID 102256208) has the molecular formula C31H28P2 and a molecular weight of 462.51 g/mol. Its IUPAC name is [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane
PubChem CID102256208
Molecular FormulaC31H28P2
Molecular Weight462.51 g/mol
Exact Mass462.17
IUPAC Name[(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane
SMILESc1ccc(P(C2=C(P(c3ccccc3)c3ccccc3)[C@H]3CC[C@H]2C3)c2ccccc2)cc1
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/h1-20,24-25H,21-23H2/t24-,25-/m0/s1
InChIKeyLRXODOBTEMJJAP-DQEYMECFSA-N
XLogP6.89
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 ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
2,3-diphenylbicyclo[2.2.1]hept-2-ene
CID 14908753
triphenylphosphane;octahydrochloride
CID 172751742
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane?
The IUPAC name of [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane (CID 102256208) is [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane.
What is the SMILES notation for [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane?
The canonical SMILES for [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane is c1ccc(P(C2=C(P(c3ccccc3)c3ccccc3)[C@H]3CC[C@H]2C3)c2ccccc2)cc1.
What is the InChIKey of [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane?
The InChIKey is LRXODOBTEMJJAP-DQEYMECFSA-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/h1-20,24-25H,21-23H2/t24-,25-/m0/s1.
What are the key properties of [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane?
[(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane has a molecular weight of 462.51 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane is sourced from PubChem (CID 102256208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).