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

C48H32N2O — CID 57400340

IUPAC4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESc1ccc(-c2ccc(-c3nc4ccccc4c(-c4ccccc4)c3Oc3ccc(-c4cc(-c5ccccc5)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C48H32N2O/c1-4-14-33(15-5-1)34-24-26-38(27-25-34)47-48(46(37-18-8-3-9-19-37)41-21-11-13-23-44(41)50-47)51-39-30-28-36(29-31-39)45-32-42(35-16-6-2-7-17-35)40-20-10-12-22-43(40)49-45/h1-32H
InChIKeyXRZCZINAQLDSHD-UHFFFAOYSA-N
MW652.80 g/mol
LogP12.91
Rot. Bonds7

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

4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (PubChem CID 57400340) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.

Molecular Properties

Compound Name4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
PubChem CID57400340
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC Name4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline
SMILESc1ccc(-c2ccc(-c3nc4ccccc4c(-c4ccccc4)c3Oc3ccc(-c4cc(-c5ccccc5)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C48H32N2O/c1-4-14-33(15-5-1)34-24-26-38(27-25-34)47-48(46(37-18-8-3-9-19-37)41-21-11-13-23-44(41)50-47)51-39-30-28-36(29-31-39)45-32-42(35-16-6-2-7-17-35)40-20-10-12-22-43(40)49-45/h1-32H
InChIKeyXRZCZINAQLDSHD-UHFFFAOYSA-N
XLogP12.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline with MolForge

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Related Compounds

CL-246738 free base
CID 133712
3-(Benzyloxy)-2-methylquinoline
CID 3841340
1,1-Bis(4-(2-quinolylmethoxy)phenyl)ethanol
CID 10625577
Cyclohexanecarboxylic acid, 4,4-bis[4-(2-quinolinylmethoxy)phenyl]-
CID 10746388
Bis(4-(2-quinolylmethoxy)phenyl)methanol
CID 10767637
4,4-Bis(4-(2-quinolylmethoxy)phenyl)pentan-1-ol
CID 10769106
3,3-Bis[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10769251
2-[Phenyl-bis[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylacetic acid
CID 10770516
3,3-Bis[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 10816227
Sodium 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoate
CID 23679039
Sodium 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoate
CID 23683328
4,4-Bis(4-(2-quinolylmethoxy)phenyl)pentanoic acid sodium salt
CID 23690851

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The IUPAC name of 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline (CID 57400340) is 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline.
What is the SMILES notation for 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The canonical SMILES for 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is c1ccc(-c2ccc(-c3nc4ccccc4c(-c4ccccc4)c3Oc3ccc(-c4cc(-c5ccccc5)c5ccccc5n4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
The InChIKey is XRZCZINAQLDSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-4-14-33(15-5-1)34-24-26-38(27-25-34)47-48(46(37-18-8-3-9-19-37)41-21-11-13-23-44(41)50-47)51-39-30-28-36(29-31-39)45-32-42(35-16-6-2-7-17-35)40-20-10-12-22-43(40)49-45/h1-32H.
What are the key properties of 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline?
4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline has a molecular weight of 652.80 g/mol, XLogP of 12.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-phenylphenyl)-3-[4-(4-phenylquinolin-2-yl)phenoxy]quinoline is sourced from PubChem (CID 57400340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).