2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one

C114H74N14O3 — CID 159155859

IUPAC2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc43)cc2)n1-c1ccccc1.O=c1c2ccccc2nc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)n1-c1cccc(-c2nc(-c3ccccc3)c3ccccc3n2)c1.O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C48H30N6O.2C33H22N4O/c55-48-39-25-9-12-28-42(39)51-47(35-21-13-19-33(29-35)45-49-40-26-10-7-23-37(40)43(52-45)31-15-3-1-4-16-31)54(48)36-22-14-20-34(30-36)46-50-41-27-11-8-24-38(41)44(53-46)32-17-5-2-6-18-32;38-33-27-15-7-8-16-28(27)34-32(37(33)25-13-5-2-6-14-25)24-19-21-26(22-20-24)36-30-18-10-9-17-29(30)35-31(36)23-11-3-1-4-12-23;38-33-27-15-7-8-16-28(27)34-32(24-13-5-2-6-14-24)37(33)26-21-19-25(20-22-26)36-30-18-10-9-17-29(30)35-31(36)23-11-3-1-4-12-23/h1-30H;2*1-22H
InChIKeyKJWNWEAKJPHUHK-UHFFFAOYSA-N
MW1687.94 g/mol
LogP24.72
Rot. Bonds14

About 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one

2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one (PubChem CID 159155859) has the molecular formula C114H74N14O3 and a molecular weight of 1687.94 g/mol. Its IUPAC name is 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one
PubChem CID159155859
Molecular FormulaC114H74N14O3
Molecular Weight1687.94 g/mol
Exact Mass1686.61
IUPAC Name2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc43)cc2)n1-c1ccccc1.O=c1c2ccccc2nc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)n1-c1cccc(-c2nc(-c3ccccc3)c3ccccc3n2)c1.O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C48H30N6O.2C33H22N4O/c55-48-39-25-9-12-28-42(39)51-47(35-21-13-19-33(29-35)45-49-40-26-10-7-23-37(40)43(52-45)31-15-3-1-4-16-31)54(48)36-22-14-20-34(30-36)46-50-41-27-11-8-24-38(41)44(53-46)32-17-5-2-6-18-32;38-33-27-15-7-8-16-28(27)34-32(37(33)25-13-5-2-6-14-25)24-19-21-26(22-20-24)36-30-18-10-9-17-29(30)35-31(36)23-11-3-1-4-12-23;38-33-27-15-7-8-16-28(27)34-32(24-13-5-2-6-14-24)37(33)26-21-19-25(20-22-26)36-30-18-10-9-17-29(30)35-31(36)23-11-3-1-4-12-23/h1-30H;2*1-22H
InChIKeyKJWNWEAKJPHUHK-UHFFFAOYSA-N
XLogP24.72
TPSA191.87 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001687.94
LogP ≤ 524.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one with MolForge

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Related Compounds

3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
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-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
4-[4-[3-[4-phenyl-6-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 170034469
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one?
The IUPAC name of 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one (CID 159155859) is 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one.
What is the SMILES notation for 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one?
The canonical SMILES for 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc43)cc2)n1-c1ccccc1.O=c1c2ccccc2nc(-c2cccc(-c3nc(-c4ccccc4)c4ccccc4n3)c2)n1-c1cccc(-c2nc(-c3ccccc3)c3ccccc3n2)c1.O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one?
The InChIKey is KJWNWEAKJPHUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6O.2C33H22N4O/c55-48-39-25-9-12-28-42(39)51-47(35-21-13-19-33(29-35)45-49-40-26-10-7-23-37(40)43(52-45)31-15-3-1-4-16-31)54(48)36-22-14-20-34(30-36)46-50-41-27-11-8-24-38(41)44(53-46)32-17-5-2-6-18-32;38-33-27-15-7-8-16-28(27)34-32(37(33)25-13-5-2-6-14-25)24-19-21-26(22-20-24)36-30-18-10-9-17-29(30)35-31(36)23-11-3-1-4-12-23;38-33-27-15-7-8-16-28(27)34-32(24-13-5-2-6-14-24)37(33)26-21-19-25(20-22-26)36-30-18-10-9-17-29(30)35-31(36)23-11-3-1-4-12-23/h1-30H;2*1-22H.
What are the key properties of 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one?
2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one has a molecular weight of 1687.94 g/mol, XLogP of 24.72, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[3-(4-phenylquinazolin-2-yl)phenyl]quinazolin-4-one;2-phenyl-3-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one;3-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]quinazolin-4-one is sourced from PubChem (CID 159155859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).