2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline

C33H26N2 — CID 171766184

IUPAC2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline
SMILESCc1cc(-c2cc(-c3ccccn3)ccc2C)cc(-c2cc3ncc(C)cc3c3ccccc23)c1
InChIInChI=1S/C33H26N2/c1-21-14-25(29-18-24(12-11-23(29)3)32-10-6-7-13-34-32)17-26(15-21)30-19-33-31(16-22(2)20-35-33)28-9-5-4-8-27(28)30/h4-20H,1-3H3
InChIKeyDESRWIPPUUUUBY-UHFFFAOYSA-N
MW450.59 g/mol
LogP8.71
Rot. Bonds3

About 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline

2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline (PubChem CID 171766184) has the molecular formula C33H26N2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline.

Molecular Properties

Compound Name2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline
PubChem CID171766184
Molecular FormulaC33H26N2
Molecular Weight450.59 g/mol
Exact Mass450.21
IUPAC Name2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline
SMILESCc1cc(-c2cc(-c3ccccn3)ccc2C)cc(-c2cc3ncc(C)cc3c3ccccc23)c1
InChIInChI=1S/C33H26N2/c1-21-14-25(29-18-24(12-11-23(29)3)32-10-6-7-13-34-32)17-26(15-21)30-19-33-31(16-22(2)20-35-33)28-9-5-4-8-27(28)30/h4-20H,1-3H3
InChIKeyDESRWIPPUUUUBY-UHFFFAOYSA-N
XLogP8.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline
CID 171766128
6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline
CID 171766132
6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)phenyl]-2-methylbenzo[f]quinoline;iridium;2-phenylpyridine
CID 171766322
2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline
CID 171766331
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-(3-methyl-5-pyridin-2-ylphenyl)pyrazine
CID 144553934
2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline
CID 171766403
2-[3-(7-methyltriphenylen-2-yl)-5-pyridin-2-ylphenyl]pyridine
CID 145180167
6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline
CID 171766210
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine
CID 88554780
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]-5-methylpyridine
CID 153458455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline?
The IUPAC name of 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline (CID 171766184) is 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline.
What is the SMILES notation for 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline?
The canonical SMILES for 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline is Cc1cc(-c2cc(-c3ccccn3)ccc2C)cc(-c2cc3ncc(C)cc3c3ccccc23)c1.
What is the InChIKey of 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline?
The InChIKey is DESRWIPPUUUUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2/c1-21-14-25(29-18-24(12-11-23(29)3)32-10-6-7-13-34-32)17-26(15-21)30-19-33-31(16-22(2)20-35-33)28-9-5-4-8-27(28)30/h4-20H,1-3H3.
What are the key properties of 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline?
2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline has a molecular weight of 450.59 g/mol, XLogP of 8.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline is sourced from PubChem (CID 171766184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).