N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline

C51H34N4S — CID 170096283

IUPACN-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5sc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C51H34N4S/c1-5-13-35(14-6-1)36-21-27-43(28-22-36)55(42-19-11-4-12-20-42)44-29-23-37(24-30-44)40-26-32-47-46(33-40)45-31-25-41(34-48(45)56-47)51-53-49(38-15-7-2-8-16-38)52-50(54-51)39-17-9-3-10-18-39/h1-34H
InChIKeyLPVFGAWBHKAHGC-UHFFFAOYSA-N
MW734.93 g/mol
LogP14.04
Rot. Bonds8

About N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline

N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline (PubChem CID 170096283) has the molecular formula C51H34N4S and a molecular weight of 734.93 g/mol. Its IUPAC name is N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline
PubChem CID170096283
Molecular FormulaC51H34N4S
Molecular Weight734.93 g/mol
Exact Mass734.25
IUPAC NameN-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5sc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C51H34N4S/c1-5-13-35(14-6-1)36-21-27-43(28-22-36)55(42-19-11-4-12-20-42)44-29-23-37(24-30-44)40-26-32-47-46(33-40)45-31-25-41(34-48(45)56-47)51-53-49(38-15-7-2-8-16-38)52-50(54-51)39-17-9-3-10-18-39/h1-34H
InChIKeyLPVFGAWBHKAHGC-UHFFFAOYSA-N
XLogP14.04
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.93
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline 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

2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
N-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 171727214
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2,4-diphenyl-6-[8-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 149451405
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 154624619
N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 169059274
2-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155328614

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline (CID 170096283) is N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5sc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is LPVFGAWBHKAHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4S/c1-5-13-35(14-6-1)36-21-27-43(28-22-36)55(42-19-11-4-12-20-42)44-29-23-37(24-30-44)40-26-32-47-46(33-40)45-31-25-41(34-48(45)56-47)51-53-49(38-15-7-2-8-16-38)52-50(54-51)39-17-9-3-10-18-39/h1-34H.
What are the key properties of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline?
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 734.93 g/mol, XLogP of 14.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 170096283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).