2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one

C58H41BrN4O2 — CID 145049910

About 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one

2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one (PubChem CID 145049910) has the molecular formula C58H41BrN4O2 and a molecular weight of 905.90 g/mol. Its IUPAC name is 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

• Compound Name: 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one
• PubChem CID: 145049910
• Molecular Formula: C58H41BrN4O2
• Molecular Weight: 905.90 g/mol
• Exact Mass: 904.24
• IUPAC Name: 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one
• SMILES: O=C1c2ccccc2NC(c2cccc(Br)c2)N1c1cccc(-c2ccc(-c3cc(-c4ccccc4)cc(C4Nc5ccc(-c6ccccc6)cc5C(=O)N4c4ccccc4)c3)cc2)c1
• InChI: InChI=1S/C58H41BrN4O2/c59-48-20-12-19-44(35-48)55-60-53-25-11-10-24-51(53)57(64)63(55)50-23-13-18-42(36-50)40-26-28-41(29-27-40)46-32-45(39-16-6-2-7-17-39)33-47(34-46)56-61-54-31-30-43(38-14-4-1-5-15-38)37-52(54)58(65)62(56)49-21-8-3-9-22-49/h1-37,55-56,60-61H
• InChIKey: QCWWWSSACYZJLR-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.90
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one?

The IUPAC name of 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one (CID 145049910) is 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one.

What is the SMILES notation for 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one?

The canonical SMILES for 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccc(Br)c2)N1c1cccc(-c2ccc(-c3cc(-c4ccccc4)cc(C4Nc5ccc(-c6ccccc6)cc5C(=O)N4c4ccccc4)c3)cc2)c1.

What is the InChIKey of 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one?

The InChIKey is QCWWWSSACYZJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41BrN4O2/c59-48-20-12-19-44(35-48)55-60-53-25-11-10-24-51(53)57(64)63(55)50-23-13-18-42(36-50)40-26-28-41(29-27-40)46-32-45(39-16-6-2-7-17-39)33-47(34-46)56-61-54-31-30-43(38-14-4-1-5-15-38)37-52(54)58(65)62(56)49-21-8-3-9-22-49/h1-37,55-56,60-61H.

What are the key properties of 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one?

2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 905.90 g/mol, XLogP of 14.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 145049910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).