diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane

C27H30NOP — CID 101365751

IUPACdiphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane
SMILESCC1(C)[C@H]2CC[C@](C)(C2)[C@]1(OP(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C27H30NOP/c1-25(2)21-17-18-26(3,20-21)27(25,24-16-10-11-19-28-24)29-30(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-16,19,21H,17-18,20H2,1-3H3/t21-,26+,27-/m0/s1
InChIKeyJCVJGNUQIJDZCR-KWTBFXGESA-N
MW415.52 g/mol
LogP6.19
Rot. Bonds5

About diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane

diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane (PubChem CID 101365751) has the molecular formula C27H30NOP and a molecular weight of 415.52 g/mol. Its IUPAC name is diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane.

Molecular Properties

Compound Namediphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane
PubChem CID101365751
Molecular FormulaC27H30NOP
Molecular Weight415.52 g/mol
Exact Mass415.21
IUPAC Namediphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane
SMILESCC1(C)[C@H]2CC[C@](C)(C2)[C@]1(OP(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C27H30NOP/c1-25(2)21-17-18-26(3,20-21)27(25,24-16-10-11-19-28-24)29-30(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-16,19,21H,17-18,20H2,1-3H3/t21-,26+,27-/m0/s1
InChIKeyJCVJGNUQIJDZCR-KWTBFXGESA-N
XLogP6.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,7,7-Trimethyl-2-(2-pyridyl)bicyclo(2.2.1)heptan-2-ol
CID 15553738
(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 100993925
1,3,3-Trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 135009825
(1R,2R,4S)-1,3,3-Trimethyl-2-(2-pyridyl)bicyclo[2.2.1]heptane-2-ol
CID 11734622
5-Methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol
CID 15553737
1,3,3-Trimethyl-2-pyridin-2-ylbicyclo[2.2.1]heptan-2-ol
CID 73079214
[(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane
CID 134991668
[7,7-Dimethyl-2-(pyridin-2-ylmethylimino)-1-bicyclo[2.2.1]heptanyl]-diphenylmethanol
CID 135016842
2-(Pyridin-2-yl)bicyclo[2.2.1]heptan-2-ol
CID 135039319
1-(2-Bicyclo[2.2.1]heptanyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585911
(1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 100993929
(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10849014

Frequently Asked Questions

What is the IUPAC name of diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane?
The IUPAC name of diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane (CID 101365751) is diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane.
What is the SMILES notation for diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane?
The canonical SMILES for diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane is CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(OP(c1ccccc1)c1ccccc1)c1ccccn1.
What is the InChIKey of diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane?
The InChIKey is JCVJGNUQIJDZCR-KWTBFXGESA-N. The full InChI is InChI=1S/C27H30NOP/c1-25(2)21-17-18-26(3,20-21)27(25,24-16-10-11-19-28-24)29-30(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-16,19,21H,17-18,20H2,1-3H3/t21-,26+,27-/m0/s1.
What are the key properties of diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane?
diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane has a molecular weight of 415.52 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[[(1R,2R,4S)-1,3,3-trimethyl-2-pyridin-2-yl-2-bicyclo[2.2.1]heptanyl]oxy]phosphane is sourced from PubChem (CID 101365751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).