11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole

C53H35N5 — CID 159845108

IUPAC11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6n6c7ccccc7n(-c7ccccc7)c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C53H35N5/c1-4-16-36(17-5-1)40-20-14-22-42(34-40)51-54-50(55-52(56-51)43-23-15-21-41(35-43)37-18-6-2-7-19-37)39-32-30-38(31-33-39)49-45-26-10-11-27-46(45)58-48-29-13-12-28-47(48)57(53(49)58)44-24-8-3-9-25-44/h1-35H
InChIKeyNPESPELRNAUKMV-UHFFFAOYSA-N
MW741.90 g/mol
LogP13.22
Rot. Bonds7

About 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole

11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole (PubChem CID 159845108) has the molecular formula C53H35N5 and a molecular weight of 741.90 g/mol. Its IUPAC name is 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
PubChem CID159845108
Molecular FormulaC53H35N5
Molecular Weight741.90 g/mol
Exact Mass741.29
IUPAC Name11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6n6c7ccccc7n(-c7ccccc7)c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C53H35N5/c1-4-16-36(17-5-1)40-20-14-22-42(34-40)51-54-50(55-52(56-51)43-23-15-21-41(35-43)37-18-6-2-7-19-37)39-32-30-38(31-33-39)49-45-26-10-11-27-46(45)58-48-29-13-12-28-47(48)57(53(49)58)44-24-8-3-9-25-44/h1-35H
InChIKeyNPESPELRNAUKMV-UHFFFAOYSA-N
XLogP13.22
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole 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

10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782219
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole
CID 165108051
10-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164969805
11-phenyl-10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole
CID 164947595
11-[3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylindolo[1,2-a]benzimidazole;11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 164961112
10-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782315
10-[4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782470
10-[3-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782166
10-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782436
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-11-phenyl-7-[4-[4-phenyl-6-[4-[4-(11-phenylindolo[1,2-a]benzimidazol-10-yl)phenyl]naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole
CID 167088859
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole?
The IUPAC name of 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole (CID 159845108) is 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole?
The canonical SMILES for 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5c6ccccc6n6c7ccccc7n(-c7ccccc7)c56)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole?
The InChIKey is NPESPELRNAUKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N5/c1-4-16-36(17-5-1)40-20-14-22-42(34-40)51-54-50(55-52(56-51)43-23-15-21-41(35-43)37-18-6-2-7-19-37)39-32-30-38(31-33-39)49-45-26-10-11-27-46(45)58-48-29-13-12-28-47(48)57(53(49)58)44-24-8-3-9-25-44/h1-35H.
What are the key properties of 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole?
11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole has a molecular weight of 741.90 g/mol, XLogP of 13.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 159845108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).