4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine

C19H19N — CID 138646102

IUPAC4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine
SMILESCc1cc(C2=CC=CC[C@H]2C)ncc1-c1ccccc1
InChIInChI=1S/C19H19N/c1-14-8-6-7-11-17(14)19-12-15(2)18(13-20-19)16-9-4-3-5-10-16/h3-7,9-14H,8H2,1-2H3/t14-/m1/s1
InChIKeyGQNAJJOSJMIIJA-CQSZACIVSA-N
MW261.37 g/mol
LogP5.04
Rot. Bonds2

About 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine

4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine (PubChem CID 138646102) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine.

Molecular Properties

Compound Name4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine
PubChem CID138646102
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine
SMILESCc1cc(C2=CC=CC[C@H]2C)ncc1-c1ccccc1
InChIInChI=1S/C19H19N/c1-14-8-6-7-11-17(14)19-12-15(2)18(13-20-19)16-9-4-3-5-10-16/h3-7,9-14H,8H2,1-2H3/t14-/m1/s1
InChIKeyGQNAJJOSJMIIJA-CQSZACIVSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine
CID 156510300
2-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 154932801
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
methane;4-methyl-5-(2-methylphenyl)-2-phenylpyridine
CID 142322015
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
2-[2-[1-[2-(2,3-dihydropyridin-2-yl)phenyl]ethenyl]phenyl]-4-methyl-5-phenylpyridine
CID 90215692
2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine
CID 145237182
3-methyl-5-(6-methylcyclohexa-1,3-dien-1-yl)pyridine
CID 143707425
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
2-(2-bromodibenzofuran-4-yl)-4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenylpyrimidine
CID 134569520

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine?
The IUPAC name of 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine (CID 138646102) is 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine.
What is the SMILES notation for 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine?
The canonical SMILES for 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine is Cc1cc(C2=CC=CC[C@H]2C)ncc1-c1ccccc1.
What is the InChIKey of 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine?
The InChIKey is GQNAJJOSJMIIJA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N/c1-14-8-6-7-11-17(14)19-12-15(2)18(13-20-19)16-9-4-3-5-10-16/h3-7,9-14H,8H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine?
4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine has a molecular weight of 261.37 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine is sourced from PubChem (CID 138646102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).