diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane

C31H30NP — CID 58626968

IUPACdiphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane
SMILESC[C@H]1c2nc(-c3ccccc3P(c3ccccc3)c3ccccc3)ccc2[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C31H30NP/c1-21-26-20-27(31(26,2)3)24-18-19-28(32-30(21)24)25-16-10-11-17-29(25)33(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-19,21,26-27H,20H2,1-3H3/t21-,26-,27+/m1/s1
InChIKeyYMNXEINNYGBNMV-ZFWHIUCFSA-N
MW447.56 g/mol
LogP6.75
Rot. Bonds4

About diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane

diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane (PubChem CID 58626968) has the molecular formula C31H30NP and a molecular weight of 447.56 g/mol. Its IUPAC name is diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane
PubChem CID58626968
Molecular FormulaC31H30NP
Molecular Weight447.56 g/mol
Exact Mass447.21
IUPAC Namediphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane
SMILESC[C@H]1c2nc(-c3ccccc3P(c3ccccc3)c3ccccc3)ccc2[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C31H30NP/c1-21-26-20-27(31(26,2)3)24-18-19-28(32-30(21)24)25-16-10-11-17-29(25)33(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-19,21,26-27H,20H2,1-3H3/t21-,26-,27+/m1/s1
InChIKeyYMNXEINNYGBNMV-ZFWHIUCFSA-N
XLogP6.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane with MolForge

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Related Compounds

(1S,8S,9R)-10,10-dimethyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-amine
CID 102288486
(1R,8S,9R)-8-ethyl-10,10-dimethyl-5-(6-phenyl-2-pyridinyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 101086223
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
(1R,8S,9R)-10,10-dimethyl-8-pentyl-5-pyridin-2-yl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 10471267
4-diphenylphosphanyl-2-methyl-2,3-dihydroinden-1-one
CID 54062928
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane;ethane
CID 143467946
[2-[9-(2-diphenylphosphanylphenyl)-4,7-diphenyl-1,10-phenanthrolin-2-yl]phenyl]-diphenylphosphane
CID 141480420
diphenyl-[2-[6-[5-[2-[phenyl(phosphanyl)phosphanyl]phenyl]-1H-pyrrol-2-yl]-2-pyridinyl]phenyl]phosphane
CID 129046831
[2-[2-(2-methylphenyl)phenyl]phenyl]-diphenylphosphane
CID 142046194
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-diphenylphosphane
CID 15410205
(1R,8S,9R)-5-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-8-ethyl-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 101086218
diphenyl-[2-[(1S,2S,6R,7S)-1,10,10-trimethyl-3-oxa-5-azatricyclo[5.2.1.02,6]dec-4-en-4-yl]phenyl]phosphane
CID 89352972

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane?
The IUPAC name of diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane (CID 58626968) is diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane?
The canonical SMILES for diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane is C[C@H]1c2nc(-c3ccccc3P(c3ccccc3)c3ccccc3)ccc2[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane?
The InChIKey is YMNXEINNYGBNMV-ZFWHIUCFSA-N. The full InChI is InChI=1S/C31H30NP/c1-21-26-20-27(31(26,2)3)24-18-19-28(32-30(21)24)25-16-10-11-17-29(25)33(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-19,21,26-27H,20H2,1-3H3/t21-,26-,27+/m1/s1.
What are the key properties of diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane?
diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane has a molecular weight of 447.56 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-[(1R,8R,9R)-8,10,10-trimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]phenyl]phosphane is sourced from PubChem (CID 58626968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).