2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline

C32H25N3 — CID 171766403

IUPAC2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline
SMILESCc1ccnc(-c2cccc(-c3cncc(-c4cc5ncc(C)cc5c5ccc(C)cc45)c3)c2)c1
InChIInChI=1S/C32H25N3/c1-20-7-8-27-29(11-20)28(16-32-30(27)12-22(3)17-35-32)26-15-25(18-33-19-26)23-5-4-6-24(14-23)31-13-21(2)9-10-34-31/h4-19H,1-3H3
InChIKeyKAYJMTRLBBOVOQ-UHFFFAOYSA-N
MW451.57 g/mol
LogP8.10
Rot. Bonds3

About 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline

2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline (PubChem CID 171766403) has the molecular formula C32H25N3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline.

Molecular Properties

Compound Name2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline
PubChem CID171766403
Molecular FormulaC32H25N3
Molecular Weight451.57 g/mol
Exact Mass451.20
IUPAC Name2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline
SMILESCc1ccnc(-c2cccc(-c3cncc(-c4cc5ncc(C)cc5c5ccc(C)cc45)c3)c2)c1
InChIInChI=1S/C32H25N3/c1-20-7-8-27-29(11-20)28(16-32-30(27)12-22(3)17-35-32)26-15-25(18-33-19-26)23-5-4-6-24(14-23)31-13-21(2)9-10-34-31/h4-19H,1-3H3
InChIKeyKAYJMTRLBBOVOQ-UHFFFAOYSA-N
XLogP8.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 58.10
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

2,9-dimethyl-6-[6-[3-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline
CID 171766337
2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)phenyl]pyrazin-2-yl]benzo[f]quinoline
CID 171766331
3-methyl-5-(4-methyl-2-pyridinyl)pyridine
CID 54101301
6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline
CID 171766210
2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline
CID 171766184
2,8-dimethyl-6-[6-[2-methyl-5-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]pyrazin-2-yl]benzo[f]quinoline;iridium;2-(2-phenylbenzene-6-id-1-yl)pyridine
CID 171766330
1-methyl-3-phenylbenzene;2-methyl-5-phenylpyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
CID 159007156
2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586988
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline
CID 171766128
2,9-dimethyl-6-[6-(3-pyridin-2-ylbenzene-4-id-1-yl)pyrazin-2-yl]benzo[f]quinoline;iridium;2-(2-phenylbenzene-6-id-1-yl)pyridine
CID 171766140
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline?
The IUPAC name of 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline (CID 171766403) is 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline.
What is the SMILES notation for 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline?
The canonical SMILES for 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline is Cc1ccnc(-c2cccc(-c3cncc(-c4cc5ncc(C)cc5c5ccc(C)cc45)c3)c2)c1.
What is the InChIKey of 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline?
The InChIKey is KAYJMTRLBBOVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3/c1-20-7-8-27-29(11-20)28(16-32-30(27)12-22(3)17-35-32)26-15-25(18-33-19-26)23-5-4-6-24(14-23)31-13-21(2)9-10-34-31/h4-19H,1-3H3.
What are the key properties of 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline?
2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline has a molecular weight of 451.57 g/mol, XLogP of 8.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-6-[5-[3-(4-methyl-2-pyridinyl)phenyl]-3-pyridinyl]benzo[f]quinoline is sourced from PubChem (CID 171766403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).