6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline

C42H28N2 — CID 58637210

IUPAC6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc5nc(-c6ccccc6)cc(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C42H28N2/c1-5-13-29(14-6-1)35-27-41(31-17-9-3-10-18-31)43-39-23-21-33(25-37(35)39)34-22-24-40-38(26-34)36(30-15-7-2-8-16-30)28-42(44-40)32-19-11-4-12-20-32/h1-28H
InChIKeyLZRGHGLHPAYKSW-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.12
Rot. Bonds5

About 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline

6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline (PubChem CID 58637210) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline.

Molecular Properties

Compound Name6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline
PubChem CID58637210
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc5nc(-c6ccccc6)cc(-c6ccccc6)c5c4)ccc3n2)cc1
InChIInChI=1S/C42H28N2/c1-5-13-29(14-6-1)35-27-41(31-17-9-3-10-18-31)43-39-23-21-33(25-37(35)39)34-22-24-40-38(26-34)36(30-15-7-2-8-16-30)28-42(44-40)32-19-11-4-12-20-32/h1-28H
InChIKeyLZRGHGLHPAYKSW-UHFFFAOYSA-N
XLogP11.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline?
The IUPAC name of 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline (CID 58637210) is 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline.
What is the SMILES notation for 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline?
The canonical SMILES for 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline is c1ccc(-c2cc(-c3ccccc3)c3cc(-c4ccc5nc(-c6ccccc6)cc(-c6ccccc6)c5c4)ccc3n2)cc1.
What is the InChIKey of 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline?
The InChIKey is LZRGHGLHPAYKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-5-13-29(14-6-1)35-27-41(31-17-9-3-10-18-31)43-39-23-21-33(25-37(35)39)34-22-24-40-38(26-34)36(30-15-7-2-8-16-30)28-42(44-40)32-19-11-4-12-20-32/h1-28H.
What are the key properties of 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline?
6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline has a molecular weight of 560.70 g/mol, XLogP of 11.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-diphenylquinolin-6-yl)-2,4-diphenylquinoline is sourced from PubChem (CID 58637210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).