2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

C43H30N2O — CID 57403885

IUPAC2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C43H30N2O/c1-29-20-22-33(23-21-29)42-43(41(32-14-6-3-7-15-32)36-17-9-11-19-39(36)45-42)46-34-26-24-31(25-27-34)40-28-37(30-12-4-2-5-13-30)35-16-8-10-18-38(35)44-40/h2-28H,1H3
InChIKeyXYPSJCXBGJCHTN-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.55
Rot. Bonds6

About 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline

2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (PubChem CID 57403885) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
PubChem CID57403885
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESCc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C43H30N2O/c1-29-20-22-33(23-21-29)42-43(41(32-14-6-3-7-15-32)36-17-9-11-19-39(36)45-42)46-34-26-24-31(25-27-34)40-28-37(30-12-4-2-5-13-30)35-16-8-10-18-38(35)44-40/h2-28H,1H3
InChIKeyXYPSJCXBGJCHTN-UHFFFAOYSA-N
XLogP11.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The IUPAC name of 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (CID 57403885) is 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The canonical SMILES for 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is Cc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The InChIKey is XYPSJCXBGJCHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-29-20-22-33(23-21-29)42-43(41(32-14-6-3-7-15-32)36-17-9-11-19-39(36)45-42)46-34-26-24-31(25-27-34)40-28-37(30-12-4-2-5-13-30)35-16-8-10-18-38(35)44-40/h2-28H,1H3.
What are the key properties of 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline has a molecular weight of 590.73 g/mol, XLogP of 11.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-phenyl-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is sourced from PubChem (CID 57403885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).