2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline

C34H22N4 — CID 3114124

IUPAC2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)nc5ccccc45)c3)c3ccccc3n2)cc1
InChIInChI=1S/C34H22N4/c1-3-12-23(13-4-1)33-35-29-20-9-7-18-27(29)31(37-33)25-16-11-17-26(22-25)32-28-19-8-10-21-30(28)36-34(38-32)24-14-5-2-6-15-24/h1-22H
InChIKeyKZPNJSMZWAPQIU-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.24
Rot. Bonds4

About 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline

2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline (PubChem CID 3114124) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline
PubChem CID3114124
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)nc5ccccc45)c3)c3ccccc3n2)cc1
InChIInChI=1S/C34H22N4/c1-3-12-23(13-4-1)33-35-29-20-9-7-18-27(29)31(37-33)25-16-11-17-26(22-25)32-28-19-8-10-21-30(28)36-34(38-32)24-14-5-2-6-15-24/h1-22H
InChIKeyKZPNJSMZWAPQIU-UHFFFAOYSA-N
XLogP8.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline?
The IUPAC name of 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline (CID 3114124) is 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline.
What is the SMILES notation for 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline?
The canonical SMILES for 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline is c1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)nc5ccccc45)c3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline?
The InChIKey is KZPNJSMZWAPQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-12-23(13-4-1)33-35-29-20-9-7-18-27(29)31(37-33)25-16-11-17-26(22-25)32-28-19-8-10-21-30(28)36-34(38-32)24-14-5-2-6-15-24/h1-22H.
What are the key properties of 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline?
2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline has a molecular weight of 486.58 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-(2-phenylquinazolin-4-yl)phenyl]quinazoline is sourced from PubChem (CID 3114124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).