2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine

C37H37N — CID 140867035

IUPAC2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)nc1
InChIInChI=1S/C37H37N/c1-2-3-4-5-6-9-15-29-22-23-37(38-28-29)33-21-14-20-32(24-33)36-26-34(30-16-10-7-11-17-30)25-35(27-36)31-18-12-8-13-19-31/h7-8,10-14,16-28H,2-6,9,15H2,1H3
InChIKeyKVEJASLKDVTGJZ-UHFFFAOYSA-N
MW495.71 g/mol
LogP10.65
Rot. Bonds11

About 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine

2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine (PubChem CID 140867035) has the molecular formula C37H37N and a molecular weight of 495.71 g/mol. Its IUPAC name is 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine.

Molecular Properties

Compound Name2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine
PubChem CID140867035
Molecular FormulaC37H37N
Molecular Weight495.71 g/mol
Exact Mass495.29
IUPAC Name2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)nc1
InChIInChI=1S/C37H37N/c1-2-3-4-5-6-9-15-29-22-23-37(38-28-29)33-21-14-20-32(24-33)36-26-34(30-16-10-7-11-17-30)25-35(27-36)31-18-12-8-13-19-31/h7-8,10-14,16-28H,2-6,9,15H2,1H3
InChIKeyKVEJASLKDVTGJZ-UHFFFAOYSA-N
XLogP10.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
5-nonadecyl-2-(5-nonadecyl-2-pyridinyl)pyridine
CID 14048482
2-[3-(4-butylphenyl)phenyl]-5-methylpyridine
CID 140633723
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
6-[3-(3-hexylphenyl)phenyl]-N,N-dimethylpyridin-3-amine
CID 155602208
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
2,5-bis(4-octylphenyl)pyridine
CID 139839621
trimethyl-[4-pentyl-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 140739178
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine?
The IUPAC name of 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine (CID 140867035) is 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine.
What is the SMILES notation for 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine?
The canonical SMILES for 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine is CCCCCCCCc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)nc1.
What is the InChIKey of 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine?
The InChIKey is KVEJASLKDVTGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N/c1-2-3-4-5-6-9-15-29-22-23-37(38-28-29)33-21-14-20-32(24-33)36-26-34(30-16-10-7-11-17-30)25-35(27-36)31-18-12-8-13-19-31/h7-8,10-14,16-28H,2-6,9,15H2,1H3.
What are the key properties of 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine?
2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine has a molecular weight of 495.71 g/mol, XLogP of 10.65, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-diphenylphenyl)phenyl]-5-octylpyridine is sourced from PubChem (CID 140867035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).