2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline

C30H20N2 — CID 5049773

IUPAC2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline
SMILESc1ccc2nc(-c3ccc(-c4ccc(-c5ccc6ccccc6n5)cc4)cc3)ccc2c1
InChIInChI=1S/C30H20N2/c1-3-7-27-23(5-1)17-19-29(31-27)25-13-9-21(10-14-25)22-11-15-26(16-12-22)30-20-18-24-6-2-4-8-28(24)32-30/h1-20H
InChIKeyYOWFQMUBXIIJFA-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.78
Rot. Bonds3

About 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline

2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline (PubChem CID 5049773) has the molecular formula C30H20N2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline.

Molecular Properties

Compound Name2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline
PubChem CID5049773
Molecular FormulaC30H20N2
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline
SMILESc1ccc2nc(-c3ccc(-c4ccc(-c5ccc6ccccc6n5)cc4)cc3)ccc2c1
InChIInChI=1S/C30H20N2/c1-3-7-27-23(5-1)17-19-29(31-27)25-13-9-21(10-14-25)22-11-15-26(16-12-22)30-20-18-24-6-2-4-8-28(24)32-30/h1-20H
InChIKeyYOWFQMUBXIIJFA-UHFFFAOYSA-N
XLogP7.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline?
The IUPAC name of 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline (CID 5049773) is 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline.
What is the SMILES notation for 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline?
The canonical SMILES for 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline is c1ccc2nc(-c3ccc(-c4ccc(-c5ccc6ccccc6n5)cc4)cc3)ccc2c1.
What is the InChIKey of 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline?
The InChIKey is YOWFQMUBXIIJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2/c1-3-7-27-23(5-1)17-19-29(31-27)25-13-9-21(10-14-25)22-11-15-26(16-12-22)30-20-18-24-6-2-4-8-28(24)32-30/h1-20H.
What are the key properties of 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline?
2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline has a molecular weight of 408.50 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-quinolin-2-ylphenyl)phenyl]quinoline is sourced from PubChem (CID 5049773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).