3-(2-methyl-5-phenylphenyl)benzo[f]quinoline

C26H19N — CID 122666731

IUPAC3-(2-methyl-5-phenylphenyl)benzo[f]quinoline
SMILESCc1ccc(-c2ccccc2)cc1-c1ccc2c(ccc3ccccc32)n1
InChIInChI=1S/C26H19N/c1-18-11-12-21(19-7-3-2-4-8-19)17-24(18)26-16-14-23-22-10-6-5-9-20(22)13-15-25(23)27-26/h2-17H,1H3
InChIKeyBAAXUCOFMKJIJX-UHFFFAOYSA-N
MW345.44 g/mol
LogP7.03
Rot. Bonds2

About 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline

3-(2-methyl-5-phenylphenyl)benzo[f]quinoline (PubChem CID 122666731) has the molecular formula C26H19N and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline.

Molecular Properties

Compound Name3-(2-methyl-5-phenylphenyl)benzo[f]quinoline
PubChem CID122666731
Molecular FormulaC26H19N
Molecular Weight345.44 g/mol
Exact Mass345.15
IUPAC Name3-(2-methyl-5-phenylphenyl)benzo[f]quinoline
SMILESCc1ccc(-c2ccccc2)cc1-c1ccc2c(ccc3ccccc32)n1
InChIInChI=1S/C26H19N/c1-18-11-12-21(19-7-3-2-4-8-19)17-24(18)26-16-14-23-22-10-6-5-9-20(22)13-15-25(23)27-26/h2-17H,1H3
InChIKeyBAAXUCOFMKJIJX-UHFFFAOYSA-N
XLogP7.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281
6-phenyl-2-(2-phenylphenyl)quinoline
CID 141343784
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
4-benzo[f]quinolin-3-yl-N,N-diethylaniline
CID 5063761
2-(2,5-dimethylphenyl)quinoline
CID 1202732
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
1,3-diphenylphenanthrene
CID 13011098
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
1-methyl-4-(4-methylphenyl)-2-phenylbenzene
CID 18683184
4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 118122906

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline?
The IUPAC name of 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline (CID 122666731) is 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline.
What is the SMILES notation for 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline?
The canonical SMILES for 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline is Cc1ccc(-c2ccccc2)cc1-c1ccc2c(ccc3ccccc32)n1.
What is the InChIKey of 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline?
The InChIKey is BAAXUCOFMKJIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N/c1-18-11-12-21(19-7-3-2-4-8-19)17-24(18)26-16-14-23-22-10-6-5-9-20(22)13-15-25(23)27-26/h2-17H,1H3.
What are the key properties of 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline?
3-(2-methyl-5-phenylphenyl)benzo[f]quinoline has a molecular weight of 345.44 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-phenylphenyl)benzo[f]quinoline is sourced from PubChem (CID 122666731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).