3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one

C48H30N6O3 — CID 121247436

IUPAC3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1cc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc(-n2c(-c3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C48H30N6O3/c55-46-37-22-10-13-25-40(37)49-43(31-16-4-1-5-17-31)52(46)34-28-35(53-44(32-18-6-2-7-19-32)50-41-26-14-11-23-38(41)47(53)56)30-36(29-34)54-45(33-20-8-3-9-21-33)51-42-27-15-12-24-39(42)48(54)57/h1-30H
InChIKeyZFQKBZFCYTZNGE-UHFFFAOYSA-N
MW738.81 g/mol
LogP8.78
Rot. Bonds6

About 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one

3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one (PubChem CID 121247436) has the molecular formula C48H30N6O3 and a molecular weight of 738.81 g/mol. Its IUPAC name is 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
PubChem CID121247436
Molecular FormulaC48H30N6O3
Molecular Weight738.81 g/mol
Exact Mass738.24
IUPAC Name3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1cc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc(-n2c(-c3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C48H30N6O3/c55-46-37-22-10-13-25-40(37)49-43(31-16-4-1-5-17-31)52(46)34-28-35(53-44(32-18-6-2-7-19-32)50-41-26-14-11-23-38(41)47(53)56)30-36(29-34)54-45(33-20-8-3-9-21-33)51-42-27-15-12-24-39(42)48(54)57/h1-30H
InChIKeyZFQKBZFCYTZNGE-UHFFFAOYSA-N
XLogP8.78
TPSA104.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.81
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
2-[3,5-bis(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one;2-[3-(4-oxo-3-phenylquinazolin-2-yl)phenyl]-3-phenylquinazolin-4-one
CID 157300729
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
3-(4-nitrophenyl)-2-phenylquinazolin-4-one
CID 921318
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one (CID 121247436) is 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1-c1cc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc(-n2c(-c3ccccc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one?
The InChIKey is ZFQKBZFCYTZNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O3/c55-46-37-22-10-13-25-40(37)49-43(31-16-4-1-5-17-31)52(46)34-28-35(53-44(32-18-6-2-7-19-32)50-41-26-14-11-23-38(41)47(53)56)30-36(29-34)54-45(33-20-8-3-9-21-33)51-42-27-15-12-24-39(42)48(54)57/h1-30H.
What are the key properties of 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one?
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one has a molecular weight of 738.81 g/mol, XLogP of 8.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 121247436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).