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

C34H22N4 — CID 3106747

IUPAC4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C34H22N4/c1-3-11-23(12-4-1)31-27-15-7-9-17-29(27)35-33(37-31)25-19-21-26(22-20-25)34-36-30-18-10-8-16-28(30)32(38-34)24-13-5-2-6-14-24/h1-22H
InChIKeyCFCQWTONRZOYKF-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.24
Rot. Bonds4

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

4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline (PubChem CID 3106747) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline
PubChem CID3106747
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C34H22N4/c1-3-11-23(12-4-1)31-27-15-7-9-17-29(27)35-33(37-31)25-19-21-26(22-20-25)34-36-30-18-10-8-16-28(30)32(38-34)24-13-5-2-6-14-24/h1-22H
InChIKeyCFCQWTONRZOYKF-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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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
5-Phenethylquinazoline-2,4-diamine
CID 490662
N,2-diphenylquinazolin-4-amine
CID 698960
1-(6-Fluoro-4-phenylquinazolin-2-yl)guanidine
CID 2960739
Quinazoline, 2,4-dianilino-
CID 213847
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
7-Ethyl-2,4-dimethylbenzo[b][1,8]naphthyridin-5-amine
CID 711946
4-Cyclohexyl-2-phenylquinazoline
CID 23640938
2,4,9-Trimethylbenzo(b)(1,8)naphthyridin-5-amine
CID 698490

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline?
The IUPAC name of 4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline (CID 3106747) is 4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline.
What is the SMILES notation for 4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline?
The canonical SMILES for 4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline is c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline?
The InChIKey is CFCQWTONRZOYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-11-23(12-4-1)31-27-15-7-9-17-29(27)35-33(37-31)25-19-21-26(22-20-25)34-36-30-18-10-8-16-28(30)32(38-34)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline?
4-phenyl-2-[4-(4-phenylquinazolin-2-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 4-phenyl-2-[4-(4-phenylquinazolin-2-yl)phenyl]quinazoline is sourced from PubChem (CID 3106747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).