2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid

C101H68BF3N10O5S — CID 158854097

IUPAC2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
SMILESO=S(=O)(Oc1cccc2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12)C(F)(F)F.OB(O)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c45)cc3)n2)cc1
InChIInChI=1S/C50H33N5.C32H20F3N3O3S.C19H15BN2O2/c1-4-14-37(15-5-1)47-52-48(38-16-6-2-7-17-38)54-49(53-47)39-30-26-34(27-31-39)42-22-12-18-36-19-13-23-43(46(36)42)35-28-32-40(33-29-35)50-51-44-24-10-11-25-45(44)55(50)41-20-8-3-9-21-41;33-32(34,35)42(39,40)41-27-16-8-14-22-13-7-15-26(28(22)27)21-17-19-25(20-18-21)31-37-29(23-9-3-1-4-10-23)36-30(38-31)24-11-5-2-6-12-24;23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-33H;1-20H;1-13,23-24H
InChIKeyIZUZQGCJTMXKAZ-UHFFFAOYSA-N
MW1601.59 g/mol
LogP22.66
Rot. Bonds16

About 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid

2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid (PubChem CID 158854097) has the molecular formula C101H68BF3N10O5S and a molecular weight of 1601.59 g/mol. Its IUPAC name is 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid.

Molecular Properties

Compound Name2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
PubChem CID158854097
Molecular FormulaC101H68BF3N10O5S
Molecular Weight1601.59 g/mol
Exact Mass1600.51
IUPAC Name2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid
SMILESO=S(=O)(Oc1cccc2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12)C(F)(F)F.OB(O)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c45)cc3)n2)cc1
InChIInChI=1S/C50H33N5.C32H20F3N3O3S.C19H15BN2O2/c1-4-14-37(15-5-1)47-52-48(38-16-6-2-7-17-38)54-49(53-47)39-30-26-34(27-31-39)42-22-12-18-36-19-13-23-43(46(36)42)35-28-32-40(33-29-35)50-51-44-24-10-11-25-45(44)55(50)41-20-8-3-9-21-41;33-32(34,35)42(39,40)41-27-16-8-14-22-13-7-15-26(28(22)27)21-17-19-25(20-18-21)31-37-29(23-9-3-1-4-10-23)36-30(38-31)24-11-5-2-6-12-24;23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-33H;1-20H;1-13,23-24H
InChIKeyIZUZQGCJTMXKAZ-UHFFFAOYSA-N
XLogP22.66
TPSA196.81 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001601.59
LogP ≤ 522.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid 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

[6-[4-(1-Phenylbenzimidazol-2-yl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate
CID 58037848
[6-[10-[3-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl] trifluoromethanesulfonate
CID 58876104
[6-[6-(1-Phenylbenzimidazol-2-yl)naphthalen-2-yl]naphthalen-2-yl] trifluoromethanesulfonate
CID 58876231
[6-[4-(1-Cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate
CID 89063972
[2-(3-Phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 140941037
[2-(3-Phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] 2-(1-adamantyl)-1,1-difluoroethanesulfonate
CID 140941040
[4-Fluoro-2-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl] trifluoromethanesulfonate
CID 148862664
[2-(3-Phenylphenanthro[9,10-d]imidazol-2-yl)naphthalen-1-yl] methanesulfonate;3-phenyl-2-[8-(2,2,2-trifluoroethoxy)naphthalen-1-yl]phenanthro[9,10-d]imidazole
CID 157450914
2-[4-[5-[4-(4,6-Diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 157457197
2-[4-[5-[4-(4,6-Diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 157667208
4-[6-[4-(1-Phenylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 157714888
(4-Carbazol-9-ylphenyl)boronic acid;2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]-4-phenylbenzo[h]quinazoline;[6-(4-phenylbenzo[h]quinazolin-2-yl)naphthalen-2-yl] trifluoromethanesulfonate
CID 157760001

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid?
The IUPAC name of 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid (CID 158854097) is 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid.
What is the SMILES notation for 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid?
The canonical SMILES for 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid is O=S(=O)(Oc1cccc2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c12)C(F)(F)F.OB(O)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c45)cc3)n2)cc1.
What is the InChIKey of 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid?
The InChIKey is IZUZQGCJTMXKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5.C32H20F3N3O3S.C19H15BN2O2/c1-4-14-37(15-5-1)47-52-48(38-16-6-2-7-17-38)54-49(53-47)39-30-26-34(27-31-39)42-22-12-18-36-19-13-23-43(46(36)42)35-28-32-40(33-29-35)50-51-44-24-10-11-25-45(44)55(50)41-20-8-3-9-21-41;33-32(34,35)42(39,40)41-27-16-8-14-22-13-7-15-26(28(22)27)21-17-19-25(20-18-21)31-37-29(23-9-3-1-4-10-23)36-30(38-31)24-11-5-2-6-12-24;23-20(24)15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-33H;1-20H;1-13,23-24H.
What are the key properties of 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid?
2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid has a molecular weight of 1601.59 g/mol, XLogP of 22.66, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-1-phenylbenzimidazole;[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] trifluoromethanesulfonate;[4-(1-phenylbenzimidazol-2-yl)phenyl]boronic acid is sourced from PubChem (CID 158854097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).