2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine

C27H29N — CID 129074446

IUPAC2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine
SMILESCC12CC[C@H](CC1c1ccc(-c3ccc(-c4ccccc4)nc3)cc1)C2(C)C
InChIInChI=1S/C27H29N/c1-26(2)23-15-16-27(26,3)24(17-23)20-11-9-19(10-12-20)22-13-14-25(28-18-22)21-7-5-4-6-8-21/h4-14,18,23-24H,15-17H2,1-3H3/t23-,24?,27?/m1/s1
InChIKeyKDSPFFAEOUPVQQ-MNEVETPYSA-N
MW367.54 g/mol
LogP7.35
Rot. Bonds3

About 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine

2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine (PubChem CID 129074446) has the molecular formula C27H29N and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine.

Molecular Properties

Compound Name2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine
PubChem CID129074446
Molecular FormulaC27H29N
Molecular Weight367.54 g/mol
Exact Mass367.23
IUPAC Name2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine
SMILESCC12CC[C@H](CC1c1ccc(-c3ccc(-c4ccccc4)nc3)cc1)C2(C)C
InChIInChI=1S/C27H29N/c1-26(2)23-15-16-27(26,3)24(17-23)20-11-9-19(10-12-20)22-13-14-25(28-18-22)21-7-5-4-6-8-21/h4-14,18,23-24H,15-17H2,1-3H3/t23-,24?,27?/m1/s1
InChIKeyKDSPFFAEOUPVQQ-MNEVETPYSA-N
XLogP7.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine with MolForge

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Related Compounds

9,9-dimethyl-2,7-bis(6-phenyl-3-pyridinyl)-10H-acridine
CID 141492915
methyl 4-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzoate
CID 22730795
2-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-5-phenylpyridine
CID 118155074
4-(5-phenyl-2-pyridinyl)aniline
CID 129035533
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine
CID 140904462
2-(9,9-dimethylfluoren-2-yl)-5-phenylpyridine
CID 59859383
5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine
CID 156655077
4-[4-(4,4-dimethylcyclohexyl)phenyl]-2,6-diphenylpyridine
CID 140825834
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
4-[4-(1-deuterio-4,4-dimethylcyclohexyl)phenyl]-2-phenyl-5-[1,1,2,2-tetradeuterio-2-[3-[1,1-dideuterio-2-[6-[4-(trideuteriomethyl)phenyl]-3-pyridinyl]ethyl]-5-[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]pyridine
CID 161197258
1,6,6-trimethyl-3-(5-phenyl-2-pyridinyl)piperidin-2-one
CID 70938100

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine?
The IUPAC name of 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine (CID 129074446) is 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine.
What is the SMILES notation for 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine?
The canonical SMILES for 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine is CC12CC[C@H](CC1c1ccc(-c3ccc(-c4ccccc4)nc3)cc1)C2(C)C.
What is the InChIKey of 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine?
The InChIKey is KDSPFFAEOUPVQQ-MNEVETPYSA-N. The full InChI is InChI=1S/C27H29N/c1-26(2)23-15-16-27(26,3)24(17-23)20-11-9-19(10-12-20)22-13-14-25(28-18-22)21-7-5-4-6-8-21/h4-14,18,23-24H,15-17H2,1-3H3/t23-,24?,27?/m1/s1.
What are the key properties of 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine?
2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine has a molecular weight of 367.54 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[(4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl]pyridine is sourced from PubChem (CID 129074446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).