2-(3-butylphenyl)-4-phenylquinoline

C25H23N — CID 141357650

IUPAC2-(3-butylphenyl)-4-phenylquinoline
SMILESCCCCc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C25H23N/c1-2-3-10-19-11-9-14-21(17-19)25-18-23(20-12-5-4-6-13-20)22-15-7-8-16-24(22)26-25/h4-9,11-18H,2-3,10H2,1H3
InChIKeyAHVJRDWRGIYVGK-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.91
Rot. Bonds5

About 2-(3-butylphenyl)-4-phenylquinoline

2-(3-butylphenyl)-4-phenylquinoline (PubChem CID 141357650) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(3-butylphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name2-(3-butylphenyl)-4-phenylquinoline
PubChem CID141357650
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name2-(3-butylphenyl)-4-phenylquinoline
SMILESCCCCc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C25H23N/c1-2-3-10-19-11-9-14-21(17-19)25-18-23(20-12-5-4-6-13-20)22-15-7-8-16-24(22)26-25/h4-9,11-18H,2-3,10H2,1H3
InChIKeyAHVJRDWRGIYVGK-UHFFFAOYSA-N
XLogP6.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-tridecylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621692
4-phenyl-2-propylquinoline
CID 145370518
2,9-bis(3-ethylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 23405080
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
CID 126579083
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
6-(3-butylphenyl)-12,14-diphenyl-5,7,13-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene
CID 45278517
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
CID 122600309
6-ethyl-2,4-diphenylquinoline
CID 132522547
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
CID 71229617
CID 71229617

Frequently Asked Questions

What is the IUPAC name of 2-(3-butylphenyl)-4-phenylquinoline?
The IUPAC name of 2-(3-butylphenyl)-4-phenylquinoline (CID 141357650) is 2-(3-butylphenyl)-4-phenylquinoline.
What is the SMILES notation for 2-(3-butylphenyl)-4-phenylquinoline?
The canonical SMILES for 2-(3-butylphenyl)-4-phenylquinoline is CCCCc1cccc(-c2cc(-c3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-butylphenyl)-4-phenylquinoline?
The InChIKey is AHVJRDWRGIYVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-2-3-10-19-11-9-14-21(17-19)25-18-23(20-12-5-4-6-13-20)22-15-7-8-16-24(22)26-25/h4-9,11-18H,2-3,10H2,1H3.
What are the key properties of 2-(3-butylphenyl)-4-phenylquinoline?
2-(3-butylphenyl)-4-phenylquinoline has a molecular weight of 337.47 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butylphenyl)-4-phenylquinoline is sourced from PubChem (CID 141357650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).