2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline

C29H31N — CID 140745278

IUPAC2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline
SMILESCCCCCCc1ccc(-c2cc(C)cc(-c3ccc4ccc(C)cc4n3)c2)cc1
InChIInChI=1S/C29H31N/c1-4-5-6-7-8-23-10-13-24(14-11-23)26-17-22(3)18-27(20-26)28-16-15-25-12-9-21(2)19-29(25)30-28/h9-20H,4-8H2,1-3H3
InChIKeyVGTUVMSIBVNHCU-UHFFFAOYSA-N
MW393.57 g/mol
LogP8.31
Rot. Bonds7

About 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline

2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline (PubChem CID 140745278) has the molecular formula C29H31N and a molecular weight of 393.57 g/mol. Its IUPAC name is 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline.

Molecular Properties

Compound Name2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline
PubChem CID140745278
Molecular FormulaC29H31N
Molecular Weight393.57 g/mol
Exact Mass393.25
IUPAC Name2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline
SMILESCCCCCCc1ccc(-c2cc(C)cc(-c3ccc4ccc(C)cc4n3)c2)cc1
InChIInChI=1S/C29H31N/c1-4-5-6-7-8-23-10-13-24(14-11-23)26-17-22(3)18-27(20-26)28-16-15-25-12-9-21(2)19-29(25)30-28/h9-20H,4-8H2,1-3H3
InChIKeyVGTUVMSIBVNHCU-UHFFFAOYSA-N
XLogP8.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline 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-methyl-6-(4-octylphenyl)naphthalene
CID 59917182
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-methyl-4-octylbenzene
CID 11052746
4-heptylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174342857
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
2-(3-methylphenyl)-7-propylquinoline
CID 157170662
2,4-bis(2,4-dimethylphenyl)-6-[4-(4-hexylphenyl)phenyl]-1,3,5-triazine
CID 118244537
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
4-(6-pentylquinolin-2-yl)phenol
CID 135525498
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline?
The IUPAC name of 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline (CID 140745278) is 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline.
What is the SMILES notation for 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline?
The canonical SMILES for 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline is CCCCCCc1ccc(-c2cc(C)cc(-c3ccc4ccc(C)cc4n3)c2)cc1.
What is the InChIKey of 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline?
The InChIKey is VGTUVMSIBVNHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N/c1-4-5-6-7-8-23-10-13-24(14-11-23)26-17-22(3)18-27(20-26)28-16-15-25-12-9-21(2)19-29(25)30-28/h9-20H,4-8H2,1-3H3.
What are the key properties of 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline?
2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline has a molecular weight of 393.57 g/mol, XLogP of 8.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hexylphenyl)-5-methylphenyl]-7-methylquinoline is sourced from PubChem (CID 140745278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).