8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline

C32H30N2 — CID 171751706

IUPAC8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline
SMILESCc1ccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3ncccc23)c(C)c1
InChIInChI=1S/C32H30N2/c1-21-11-12-26(22(2)18-21)28-14-13-27(31-29(28)10-7-16-34-31)23-8-6-9-24(19-23)30-20-25(15-17-33-30)32(3,4)5/h6-20H,1-5H3
InChIKeyIBMBZBDPZCUSTC-UHFFFAOYSA-N
MW442.61 g/mol
LogP8.55
Rot. Bonds3

About 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline

8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline (PubChem CID 171751706) has the molecular formula C32H30N2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline.

Molecular Properties

Compound Name8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline
PubChem CID171751706
Molecular FormulaC32H30N2
Molecular Weight442.61 g/mol
Exact Mass442.24
IUPAC Name8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline
SMILESCc1ccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3ncccc23)c(C)c1
InChIInChI=1S/C32H30N2/c1-21-11-12-26(22(2)18-21)28-14-13-27(31-29(28)10-7-16-34-31)23-8-6-9-24(19-23)30-20-25(15-17-33-30)32(3,4)5/h6-20H,1-5H3
InChIKeyIBMBZBDPZCUSTC-UHFFFAOYSA-N
XLogP8.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline
CID 171751482
5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
CID 171751639
8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline
CID 171751766
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
CID 171751604
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(6-methyl-3-pyridinyl)isoquinoline
CID 171751572
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine
CID 155643269
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
CID 140934236
5-(4-methylphenyl)-8-(2-phenyl-5-pyridin-2-ylphenyl)quinoline
CID 171751523

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline?
The IUPAC name of 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline (CID 171751706) is 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline.
What is the SMILES notation for 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline?
The canonical SMILES for 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline is Cc1ccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3ncccc23)c(C)c1.
What is the InChIKey of 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline?
The InChIKey is IBMBZBDPZCUSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2/c1-21-11-12-26(22(2)18-21)28-14-13-27(31-29(28)10-7-16-34-31)23-8-6-9-24(19-23)30-20-25(15-17-33-30)32(3,4)5/h6-20H,1-5H3.
What are the key properties of 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline?
8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline has a molecular weight of 442.61 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline is sourced from PubChem (CID 171751706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).