About 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 158475803) has the molecular formula C157H101N25
and a molecular weight of 2337.71 g/mol. Its IUPAC name is 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
Frequently Asked Questions
What is the IUPAC name of 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The IUPAC name of 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 158475803) is 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The canonical SMILES for 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5nc6ccccn6c54)nc4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5nc6ccccn6c54)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4nc5ccccn5c43)nc3ccccc23)cc1.c1ccc(-c2nc3ccccc3n2-c2ccccc2-n2c3ccccc3c3nc4ccccn4c32)cc1.c1ccc(-n2c(-c3ccccc3-n3c4ccccc4c4nc5ccccn5c43)nc3ccccc32)cc1.
What is the InChIKey of 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The InChIKey is HGXLFZWWYMAVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H21N5.2C32H21N5.C27H17N5/c1-2-10-22(11-3-1)30-25-12-4-6-14-27(25)34-32(36-30)23-17-19-24(20-18-23)38-28-15-7-5-13-26(28)31-33(38)37-21-9-8-16-29(37)35-31;1-2-10-22(11-3-1)23-17-19-24(20-18-23)30-25-12-4-6-14-27(25)34-33(36-30)38-28-15-7-5-13-26(28)31-32(38)37-21-9-8-16-29(37)35-31;1-2-12-22(13-3-1)36-28-19-9-6-16-25(28)33-31(36)24-15-5-8-18-27(24)37-26-17-7-4-14-23(26)30-32(37)35-21-11-10-20-29(35)34-30;1-2-12-22(13-3-1)31-33-24-15-5-7-17-26(24)36(31)27-18-8-9-19-28(27)37-25-16-6-4-14-23(25)30-32(37)35-21-11-10-20-29(35)34-30;1-2-10-18(11-3-1)24-19-12-4-6-14-21(19)28-27(30-24)32-22-15-7-5-13-20(22)25-26(32)31-17-9-8-16-23(31)29-25/h2*1-21H;2*1-21H;1-17H.
What are the key properties of 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 2337.71 g/mol, XLogP of 36.33, 14 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[2-(1-phenylbenzimidazol-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[2-(2-phenylbenzimidazol-1-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylphenyl)quinazolin-2-yl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4-phenylquinazolin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-(4-phenylquinazolin-2-yl)-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 158475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).