diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane

C22H27P — CID 46184297

IUPACdiphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
SMILESCC1(C)[C@H]2CC[C@]1(C)C(P(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H27P/c1-21(2)17-14-15-22(21,3)20(16-17)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3/t17-,20?,22+/m0/s1
InChIKeyXFOICXIUTIORSS-PQBSNVOHSA-N
MW322.43 g/mol
LogP5.33
Rot. Bonds3

About diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane

diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane (PubChem CID 46184297) has the molecular formula C22H27P and a molecular weight of 322.43 g/mol. Its IUPAC name is diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane.

Molecular Properties

Compound Namediphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
PubChem CID46184297
Molecular FormulaC22H27P
Molecular Weight322.43 g/mol
Exact Mass322.19
IUPAC Namediphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
SMILESCC1(C)[C@H]2CC[C@]1(C)C(P(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C22H27P/c1-21(2)17-14-15-22(21,3)20(16-17)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3/t17-,20?,22+/m0/s1
InChIKeyXFOICXIUTIORSS-PQBSNVOHSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.33
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

dichloro-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
CID 557323
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
di(propan-2-yl)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phosphane
CID 23135836
(1S,2R,4S)-2-diphenylphosphoryl-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46184298
(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine
CID 101028806
benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 23309137
diphenyl-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
CID 46184537
triphenyl-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phosphanium tetrafluoroborate
CID 10458709
3-phenylprop-2-enoic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 67727092
[(1S,4S,6R,8R)-11,11-dimethyl-3-oxo-5-oxa-3λ4-thiatricyclo[6.2.1.01,6]undecan-4-yl]-diphenylphosphane
CID 102047202
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
CID 100810555
(1S,3R,4S)-3-diphenylphosphanyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 102250401

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
The IUPAC name of diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane (CID 46184297) is diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane.
What is the SMILES notation for diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
The canonical SMILES for diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane is CC1(C)[C@H]2CC[C@]1(C)C(P(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
The InChIKey is XFOICXIUTIORSS-PQBSNVOHSA-N. The full InChI is InChI=1S/C22H27P/c1-21(2)17-14-15-22(21,3)20(16-17)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,14-16H2,1-3H3/t17-,20?,22+/m0/s1.
What are the key properties of diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane has a molecular weight of 322.43 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane is sourced from PubChem (CID 46184297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).