4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline

C35H23N3 — CID 10838616

IUPAC4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)c5ccccc5n4)n3)nc3ccccc23)cc1
InChIInChI=1S/C35H23N3/c1-3-12-24(13-4-1)28-22-34(36-30-18-9-7-16-26(28)30)32-20-11-21-33(38-32)35-23-29(25-14-5-2-6-15-25)27-17-8-10-19-31(27)37-35/h1-23H
InChIKeyIXEYENWVSDWONT-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.85
Rot. Bonds4

About 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline

4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline (PubChem CID 10838616) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline.

Molecular Properties

Compound Name4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline
PubChem CID10838616
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)c5ccccc5n4)n3)nc3ccccc23)cc1
InChIInChI=1S/C35H23N3/c1-3-12-24(13-4-1)28-22-34(36-30-18-9-7-16-26(28)30)32-20-11-21-33(38-32)35-23-29(25-14-5-2-6-15-25)27-17-8-10-19-31(27)37-35/h1-23H
InChIKeyIXEYENWVSDWONT-UHFFFAOYSA-N
XLogP8.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline?
The IUPAC name of 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline (CID 10838616) is 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline.
What is the SMILES notation for 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline?
The canonical SMILES for 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline is c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)c5ccccc5n4)n3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline?
The InChIKey is IXEYENWVSDWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-3-12-24(13-4-1)28-22-34(36-30-18-9-7-16-26(28)30)32-20-11-21-33(38-32)35-23-29(25-14-5-2-6-15-25)27-17-8-10-19-31(27)37-35/h1-23H.
What are the key properties of 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline?
4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline has a molecular weight of 485.59 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[6-(4-phenylquinolin-2-yl)-2-pyridinyl]quinoline is sourced from PubChem (CID 10838616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).