2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

C42H28N2O — CID 57398656

IUPAC2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C42H28N2O/c1-4-14-29(15-5-1)36-28-39(43-37-22-12-10-20-34(36)37)30-24-26-33(27-25-30)45-42-40(31-16-6-2-7-17-31)35-21-11-13-23-38(35)44-41(42)32-18-8-3-9-19-32/h1-28H
InChIKeyMMHWPYRGMNISMA-UHFFFAOYSA-N
MW576.70 g/mol
LogP11.24
Rot. Bonds6

About 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (PubChem CID 57398656) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.

Molecular Properties

Compound Name2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
PubChem CID57398656
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C42H28N2O/c1-4-14-29(15-5-1)36-28-39(43-37-22-12-10-20-34(36)37)30-24-26-33(27-25-30)45-42-40(31-16-6-2-7-17-31)35-21-11-13-23-38(35)44-41(42)32-18-8-3-9-19-32/h1-28H
InChIKeyMMHWPYRGMNISMA-UHFFFAOYSA-N
XLogP11.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The IUPAC name of 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (CID 57398656) is 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.
What is the SMILES notation for 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The canonical SMILES for 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is c1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The InChIKey is MMHWPYRGMNISMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-4-14-29(15-5-1)36-28-39(43-37-22-12-10-20-34(36)37)30-24-26-33(27-25-30)45-42-40(31-16-6-2-7-17-31)35-21-11-13-23-38(35)44-41(42)32-18-8-3-9-19-32/h1-28H.
What are the key properties of 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline has a molecular weight of 576.70 g/mol, XLogP of 11.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is sourced from PubChem (CID 57398656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).