2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole

C114H76N14O — CID 158610453

IUPAC2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3-c3cccnc3)nc3ccccc32)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C51H34N6.C40H27N5.C23H15N3O/c1-2-14-46(15-3-1)57-50-17-5-4-16-49(50)56-51(57)48-30-35(40-24-41(36-10-6-20-52-31-36)26-42(25-40)37-11-7-21-53-32-37)18-19-47(48)45-28-43(38-12-8-22-54-33-38)27-44(29-45)39-13-9-23-55-34-39;1-2-12-35(13-3-1)45-39-15-5-4-14-38(39)44-40(45)37-24-28(16-17-36(37)31-11-8-20-43-27-31)32-21-33(29-9-6-18-41-25-29)23-34(22-32)30-10-7-19-42-26-30;1-2-8-22-21(7-1)26-23(27-22)20-12-18(16-5-3-9-24-14-16)11-19(13-20)17-6-4-10-25-15-17/h1-34H;1-27H;1-15H
InChIKeyHWTRNQJBYIKBEZ-UHFFFAOYSA-N
MW1657.96 g/mol
LogP27.44
Rot. Bonds17

About 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole

2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole (PubChem CID 158610453) has the molecular formula C114H76N14O and a molecular weight of 1657.96 g/mol. Its IUPAC name is 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole
PubChem CID158610453
Molecular FormulaC114H76N14O
Molecular Weight1657.96 g/mol
Exact Mass1656.63
IUPAC Name2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3-c3cccnc3)nc3ccccc32)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3nc4ccccc4o3)c2)c1
InChIInChI=1S/C51H34N6.C40H27N5.C23H15N3O/c1-2-14-46(15-3-1)57-50-17-5-4-16-49(50)56-51(57)48-30-35(40-24-41(36-10-6-20-52-31-36)26-42(25-40)37-11-7-21-53-32-37)18-19-47(48)45-28-43(38-12-8-22-54-33-38)27-44(29-45)39-13-9-23-55-34-39;1-2-12-35(13-3-1)45-39-15-5-4-14-38(39)44-40(45)37-24-28(16-17-36(37)31-11-8-20-43-27-31)32-21-33(29-9-6-18-41-25-29)23-34(22-32)30-10-7-19-42-26-30;1-2-8-22-21(7-1)26-23(27-22)20-12-18(16-5-3-9-24-14-16)11-19(13-20)17-6-4-10-25-15-17/h1-34H;1-27H;1-15H
InChIKeyHWTRNQJBYIKBEZ-UHFFFAOYSA-N
XLogP27.44
TPSA177.68 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.96
LogP ≤ 527.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-[4-(1,1-dimethyl-2,4,5-triphenylsilol-3-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]-1,3-benzoxazole;2-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]-1-phenylbenzimidazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole
CID 158637971
2-[3-(1,3-benzoxazol-2-yl)-5-[4,6-bis(1-phenylbenzimidazol-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176740348
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole;9-(4-methylphenyl)-3,6-bis[2-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 162206431
CID 89196743
CID 89196743
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
4-[3-(3,5-dipyridin-3-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]isoquinoline
CID 58479961
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
2-[2,6-bis(3,6-diphenylcarbazol-9-yl)-4-pyridin-3-ylphenyl]-1,3-benzoxazole
CID 139533399
1-[4-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole;1-[4-[10-(3,4-diphenylphenyl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-phenyl-1-[4-[10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 158150561
2-[5-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-pyridin-3-ylphenyl]-2-pyridin-3-ylphenyl]-1,3-benzoxazole
CID 159462054
2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285096
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole (CID 158610453) is 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)ccc3-c3cccnc3)nc3ccccc32)cc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3nc4ccccc4o3)c2)c1.
What is the InChIKey of 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole?
The InChIKey is HWTRNQJBYIKBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N6.C40H27N5.C23H15N3O/c1-2-14-46(15-3-1)57-50-17-5-4-16-49(50)56-51(57)48-30-35(40-24-41(36-10-6-20-52-31-36)26-42(25-40)37-11-7-21-53-32-37)18-19-47(48)45-28-43(38-12-8-22-54-33-38)27-44(29-45)39-13-9-23-55-34-39;1-2-12-35(13-3-1)45-39-15-5-4-14-38(39)44-40(45)37-24-28(16-17-36(37)31-11-8-20-43-27-31)32-21-33(29-9-6-18-41-25-29)23-34(22-32)30-10-7-19-42-26-30;1-2-8-22-21(7-1)26-23(27-22)20-12-18(16-5-3-9-24-14-16)11-19(13-20)17-6-4-10-25-15-17/h1-34H;1-27H;1-15H.
What are the key properties of 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole?
2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole has a molecular weight of 1657.96 g/mol, XLogP of 27.44, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]-1-phenylbenzimidazole;2-(3,5-dipyridin-3-ylphenyl)-1,3-benzoxazole;2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 158610453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).