2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline

C32H26N2 — CID 142046199

IUPAC2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline
SMILESCC1=C(c2c(C)cccc2-c2ccc3ccccc3n2)C(c2ccc3ccccc3n2)=CCC1
InChIInChI=1S/C32H26N2/c1-21-9-7-13-25(29-19-17-23-11-3-5-15-27(23)33-29)31(21)32-22(2)10-8-14-26(32)30-20-18-24-12-4-6-16-28(24)34-30/h3-7,9,11-20H,8,10H2,1-2H3
InChIKeyDGRSYLKMCTXHAT-UHFFFAOYSA-N
MW438.57 g/mol
LogP8.41
Rot. Bonds3

About 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline

2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline (PubChem CID 142046199) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline.

Molecular Properties

Compound Name2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline
PubChem CID142046199
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline
SMILESCC1=C(c2c(C)cccc2-c2ccc3ccccc3n2)C(c2ccc3ccccc3n2)=CCC1
InChIInChI=1S/C32H26N2/c1-21-9-7-13-25(29-19-17-23-11-3-5-15-27(23)33-29)31(21)32-22(2)10-8-14-26(32)30-20-18-24-12-4-6-16-28(24)34-30/h3-7,9,11-20H,8,10H2,1-2H3
InChIKeyDGRSYLKMCTXHAT-UHFFFAOYSA-N
XLogP8.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]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

2-[3-methoxy-2-(2-methoxy-6-methylphenyl)phenyl]quinoline
CID 23528867
2-(2,5-dimethylphenyl)quinoline
CID 1202732
2-(2-methylcyclopenten-1-yl)quinoline
CID 70989557
2-[10-(3,4-dihydrophenanthren-1-yl)-2,3-dihydroanthracen-9-yl]quinoline
CID 88885291
2-(2-fluorophenyl)quinoline
CID 11622684
5-methyl-2-quinolin-2-ylaniline
CID 116644996
2-(9H-fluoren-1-yl)quinoline;iridium
CID 175928339
2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
CID 144941135
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-[9,9-bis(trifluoromethyl)fluoren-4-yl]quinoline
CID 59859336
2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride
CID 141258750
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinoline
CID 176588455

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline?
The IUPAC name of 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline (CID 142046199) is 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline.
What is the SMILES notation for 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline?
The canonical SMILES for 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline is CC1=C(c2c(C)cccc2-c2ccc3ccccc3n2)C(c2ccc3ccccc3n2)=CCC1.
What is the InChIKey of 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline?
The InChIKey is DGRSYLKMCTXHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2/c1-21-9-7-13-25(29-19-17-23-11-3-5-15-27(23)33-29)31(21)32-22(2)10-8-14-26(32)30-20-18-24-12-4-6-16-28(24)34-30/h3-7,9,11-20H,8,10H2,1-2H3.
What are the key properties of 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline?
2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline has a molecular weight of 438.57 g/mol, XLogP of 8.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(2-methyl-6-quinolin-2-ylcyclohexa-1,5-dien-1-yl)phenyl]quinoline is sourced from PubChem (CID 142046199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).