6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline

C36H32N2 — CID 171766132

IUPAC6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline
SMILESCc1ccc2c(c1)c(-c1cc(-c3cc(-c4ccccn4)ccc3C)cc(C(C)(C)C)c1)cc1ncccc12
InChIInChI=1S/C36H32N2/c1-23-11-14-29-30-9-8-16-38-35(30)22-32(33(29)17-23)27-18-26(19-28(20-27)36(3,4)5)31-21-25(13-12-24(31)2)34-10-6-7-15-37-34/h6-22H,1-5H3
InChIKeyKTMWDNBJDQSEIT-UHFFFAOYSA-N
MW492.67 g/mol
LogP9.70
Rot. Bonds3

About 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline

6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline (PubChem CID 171766132) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline.

Molecular Properties

Compound Name6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline
PubChem CID171766132
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC Name6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline
SMILESCc1ccc2c(c1)c(-c1cc(-c3cc(-c4ccccn4)ccc3C)cc(C(C)(C)C)c1)cc1ncccc12
InChIInChI=1S/C36H32N2/c1-23-11-14-29-30-9-8-16-38-35(30)22-32(33(29)17-23)27-18-26(19-28(20-27)36(3,4)5)31-21-25(13-12-24(31)2)34-10-6-7-15-37-34/h6-22H,1-5H3
InChIKeyKTMWDNBJDQSEIT-UHFFFAOYSA-N
XLogP9.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 59.70
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
2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline
CID 171766184
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
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
8-methylbenzo[f]quinolin-6-ol
CID 171766201
2-(7-methyldibenzofuran-3-yl)pyridine
CID 147853707
5-(4-methylphenyl)-8-(2-phenyl-5-pyridin-2-ylphenyl)quinoline
CID 171751523
iridium;5-[4-methyl-3-(2-methyl-5-pyridin-2-ylbenzene-4-id-1-yl)phenyl]-4,7-phenanthroline;2-phenylpyridine
CID 171766173
2-(4-methylphenyl)pyridine;silver
CID 121395993

Frequently Asked Questions

What is the IUPAC name of 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline?
The IUPAC name of 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline (CID 171766132) is 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline.
What is the SMILES notation for 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline?
The canonical SMILES for 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline is Cc1ccc2c(c1)c(-c1cc(-c3cc(-c4ccccn4)ccc3C)cc(C(C)(C)C)c1)cc1ncccc12.
What is the InChIKey of 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline?
The InChIKey is KTMWDNBJDQSEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2/c1-23-11-14-29-30-9-8-16-38-35(30)22-32(33(29)17-23)27-18-26(19-28(20-27)36(3,4)5)31-21-25(13-12-24(31)2)34-10-6-7-15-37-34/h6-22H,1-5H3.
What are the key properties of 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline?
6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline has a molecular weight of 492.67 g/mol, XLogP of 9.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline is sourced from PubChem (CID 171766132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).