6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline

C48H32N2 — CID 166569122

IUPAC6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5nc(-c6ccccc6)cc(-c6ccccc6)c5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H32N2/c1-5-16-33(17-6-1)43-32-46(36-22-11-4-12-23-36)50-47-31-42(40-26-13-14-27-41(40)48(43)47)38-25-15-24-37(28-38)39-29-44(34-18-7-2-8-19-34)49-45(30-39)35-20-9-3-10-21-35/h1-32H
InChIKeyUQJFVCYVOZWPMX-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.78
Rot. Bonds6

About 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline

6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline (PubChem CID 166569122) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

Compound Name6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline
PubChem CID166569122
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cc5nc(-c6ccccc6)cc(-c6ccccc6)c5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H32N2/c1-5-16-33(17-6-1)43-32-46(36-22-11-4-12-23-36)50-47-31-42(40-26-13-14-27-41(40)48(43)47)38-25-15-24-37(28-38)39-29-44(34-18-7-2-8-19-34)49-45(30-39)35-20-9-3-10-21-35/h1-32H
InChIKeyUQJFVCYVOZWPMX-UHFFFAOYSA-N
XLogP12.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-1,3-diphenylbenzo[f]quinoline
CID 166569130
6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568781
6-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568779
1,3-diphenyl-7-[3-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]benzo[f]quinoline
CID 166568688
7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
CID 166569266
7-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569134
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569017
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylbenzo[f]quinoline
CID 166569220
1,3-diphenyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[f]quinoline
CID 166568942
1,3-diphenyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 166569175
7-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569102
[4-(1,3-diphenylbenzo[f]quinolin-7-yl)phenyl]-diphenylphosphane
CID 166569018

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline?
The IUPAC name of 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline (CID 166569122) is 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline.
What is the SMILES notation for 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline?
The canonical SMILES for 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3cccc(-c4cc5nc(-c6ccccc6)cc(-c6ccccc6)c5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline?
The InChIKey is UQJFVCYVOZWPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-5-16-33(17-6-1)43-32-46(36-22-11-4-12-23-36)50-47-31-42(40-26-13-14-27-41(40)48(43)47)38-25-15-24-37(28-38)39-29-44(34-18-7-2-8-19-34)49-45(30-39)35-20-9-3-10-21-35/h1-32H.
What are the key properties of 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline?
6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline has a molecular weight of 636.80 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166569122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).