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

C37H27N3 — CID 171766128

IUPAC8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline
SMILESCc1ccc2c(c1)c(-c1cc(-c3ccccn3)cc(-c3cc(-c4ccccn4)ccc3C)c1)cc1ncccc12
InChIInChI=1S/C37H27N3/c1-24-11-14-30-31-8-7-17-40-37(31)23-33(34(30)18-24)28-19-27(20-29(21-28)36-10-4-6-16-39-36)32-22-26(13-12-25(32)2)35-9-3-5-15-38-35/h3-23H,1-2H3
InChIKeyMUNDNRHRHWEYSJ-UHFFFAOYSA-N
MW513.64 g/mol
LogP9.46
Rot. Bonds4

About 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline

8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline (PubChem CID 171766128) has the molecular formula C37H27N3 and a molecular weight of 513.64 g/mol. Its IUPAC name is 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline.

Molecular Properties

Compound Name8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline
PubChem CID171766128
Molecular FormulaC37H27N3
Molecular Weight513.64 g/mol
Exact Mass513.22
IUPAC Name8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline
SMILESCc1ccc2c(c1)c(-c1cc(-c3ccccn3)cc(-c3cc(-c4ccccn4)ccc3C)c1)cc1ncccc12
InChIInChI=1S/C37H27N3/c1-24-11-14-30-31-8-7-17-40-37(31)23-33(34(30)18-24)28-19-27(20-29(21-28)36-10-4-6-16-39-36)32-22-26(13-12-25(32)2)35-9-3-5-15-38-35/h3-23H,1-2H3
InChIKeyMUNDNRHRHWEYSJ-UHFFFAOYSA-N
XLogP9.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline
CID 171766132
2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline
CID 171766184
6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline
CID 171766210
2-[3-(7-methyltriphenylen-2-yl)-5-pyridin-2-ylphenyl]pyridine
CID 145180167
iridium;8-methyl-6-[3-(2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)-5-pyridin-4-ylphenyl]benzo[f]quinoline;2-(2-phenylbenzene-6-id-1-yl)pyridine
CID 171766422
5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline
CID 171766407
iridium;5-[4-methyl-3-(2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)phenyl]-4,7-phenanthroline;2-phenylpyridine
CID 171766173
6-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]benzo[f]quinoline
CID 58323749
8-methylbenzo[f]quinolin-6-ol
CID 171766201
6-[3-[3-(4,5-dimethyl-2-pyridinyl)benzene-4-id-1-yl]-2-methylphenyl]-8-pyridin-2-ylbenzo[f]quinoline;iridium;2-phenylpyridine
CID 171766152
2-(7-methyldibenzofuran-3-yl)pyridine
CID 147853707
5-(4-methylphenyl)-8-(2-phenyl-5-pyridin-2-ylphenyl)quinoline
CID 171751523

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline?
The IUPAC name of 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline (CID 171766128) is 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline.
What is the SMILES notation for 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline?
The canonical SMILES for 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline is Cc1ccc2c(c1)c(-c1cc(-c3ccccn3)cc(-c3cc(-c4ccccn4)ccc3C)c1)cc1ncccc12.
What is the InChIKey of 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline?
The InChIKey is MUNDNRHRHWEYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3/c1-24-11-14-30-31-8-7-17-40-37(31)23-33(34(30)18-24)28-19-27(20-29(21-28)36-10-4-6-16-39-36)32-22-26(13-12-25(32)2)35-9-3-5-15-38-35/h3-23H,1-2H3.
What are the key properties of 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline?
8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline has a molecular weight of 513.64 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline is sourced from PubChem (CID 171766128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).