2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline

C33H31N — CID 122600309

IUPAC2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
SMILESc1ccc(CCCCCCc2cccc(-c3cccc(-c4ccc5ccccc5n4)c3)c2)cc1
InChIInChI=1S/C33H31N/c1(4-12-26-13-6-3-7-14-26)2-5-15-27-16-10-18-29(24-27)30-19-11-20-31(25-30)33-23-22-28-17-8-9-21-32(28)34-33/h3,6-11,13-14,16-25H,1-2,4-5,12,15H2
InChIKeyQQAOQFBFPZDTEK-UHFFFAOYSA-N
MW441.62 g/mol
LogP8.91
Rot. Bonds9

About 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline

2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline (PubChem CID 122600309) has the molecular formula C33H31N and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
PubChem CID122600309
Molecular FormulaC33H31N
Molecular Weight441.62 g/mol
Exact Mass441.25
IUPAC Name2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
SMILESc1ccc(CCCCCCc2cccc(-c3cccc(-c4ccc5ccccc5n4)c3)c2)cc1
InChIInChI=1S/C33H31N/c1(4-12-26-13-6-3-7-14-26)2-5-15-27-16-10-18-29(24-27)30-19-11-20-31(25-30)33-23-22-28-17-8-9-21-32(28)34-33/h3,6-11,13-14,16-25H,1-2,4-5,12,15H2
InChIKeyQQAOQFBFPZDTEK-UHFFFAOYSA-N
XLogP8.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
N-[(3-quinolin-2-ylphenyl)methyl]propan-2-amine
CID 116645094
2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
CID 139363878
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
iridium;tris(2-phenylquinoline)
CID 122129463
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
3-(2,6-dimethylphenyl)-1-[3-[3-(6-phenylhexyl)phenyl]phenyl]isoquinoline
CID 140745251
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
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
2-phenyl-N-(3-quinolin-2-ylphenyl)acetamide
CID 46376277

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline?
The IUPAC name of 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline (CID 122600309) is 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline.
What is the SMILES notation for 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline?
The canonical SMILES for 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline is c1ccc(CCCCCCc2cccc(-c3cccc(-c4ccc5ccccc5n4)c3)c2)cc1.
What is the InChIKey of 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline?
The InChIKey is QQAOQFBFPZDTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N/c1(4-12-26-13-6-3-7-14-26)2-5-15-27-16-10-18-29(24-27)30-19-11-20-31(25-30)33-23-22-28-17-8-9-21-32(28)34-33/h3,6-11,13-14,16-25H,1-2,4-5,12,15H2.
What are the key properties of 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline?
2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline has a molecular weight of 441.62 g/mol, XLogP of 8.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline is sourced from PubChem (CID 122600309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).