[4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane

C25H23P — CID 101233300

IUPAC[4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
SMILESC1=C[C@@H]2C[C@H]1C[C@H]2c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23P/c1-3-7-22(8-4-1)26(23-9-5-2-6-10-23)24-15-13-20(14-16-24)25-18-19-11-12-21(25)17-19/h1-16,19,21,25H,17-18H2/t19-,21+,25-/m0/s1
InChIKeyBPDRCJSFAABTOH-HWHXTQLESA-N
MW354.43 g/mol
LogP5.12
Rot. Bonds4

About [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane

[4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane (PubChem CID 101233300) has the molecular formula C25H23P and a molecular weight of 354.43 g/mol. Its IUPAC name is [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
PubChem CID101233300
Molecular FormulaC25H23P
Molecular Weight354.43 g/mol
Exact Mass354.15
IUPAC Name[4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
SMILESC1=C[C@@H]2C[C@H]1C[C@H]2c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H23P/c1-3-7-22(8-4-1)26(23-9-5-2-6-10-23)24-15-13-20(14-16-24)25-18-19-11-12-21(25)17-19/h1-16,19,21,25H,17-18H2/t19-,21+,25-/m0/s1
InChIKeyBPDRCJSFAABTOH-HWHXTQLESA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.12
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

[4-[(4R)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
CID 88878262
(1S,4R,5S)-5-phenylbicyclo[2.2.1]hept-2-ene
CID 98052947
[4-[2-(4-diphenylphosphanylphenyl)cyclohexyl]phenyl]-diphenylphosphane
CID 159402940
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane
CID 129111578
(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
CID 102014475
5-(3-bromophenyl)bicyclo[2.2.1]hept-2-ene
CID 69021771
N-[4-[4-[4-[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl]-N-(4-naphthalen-1-ylphenyl)anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 58058868
5-(2-bicyclo[2.2.1]hept-5-enyl)-2-benzofuran-1,3-dione
CID 54228375
2-(2-bicyclo[2.2.1]hept-5-enyl)benzoic acid
CID 23025177
triphenylphosphane
CID 139056248
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
triphenylphosphane;yttrium
CID 139917776

Frequently Asked Questions

What is the IUPAC name of [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane?
The IUPAC name of [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane (CID 101233300) is [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane?
The canonical SMILES for [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane is C1=C[C@@H]2C[C@H]1C[C@H]2c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane?
The InChIKey is BPDRCJSFAABTOH-HWHXTQLESA-N. The full InChI is InChI=1S/C25H23P/c1-3-7-22(8-4-1)26(23-9-5-2-6-10-23)24-15-13-20(14-16-24)25-18-19-11-12-21(25)17-19/h1-16,19,21,25H,17-18H2/t19-,21+,25-/m0/s1.
What are the key properties of [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane?
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane has a molecular weight of 354.43 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 101233300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).