12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

C51H29N5S2 — CID 118888288

IUPAC12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6cccc7c6sc6ccccc67)nc(-c6cccc7sc8ccccc8c67)n5)c4c32)cc1
InChIInChI=1S/C51H29N5S2/c1-2-14-30(15-3-1)55-40-23-8-4-16-31(40)34-28-29-35-32-17-5-9-24-41(32)56(47(35)46(34)55)51-53-49(38-21-13-27-44-45(38)37-19-7-11-26-43(37)57-44)52-50(54-51)39-22-12-20-36-33-18-6-10-25-42(33)58-48(36)39/h1-29H
InChIKeyLLFVVOTUZZUOLT-UHFFFAOYSA-N
MW775.96 g/mol
LogP14.14
Rot. Bonds4

About 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 118888288) has the molecular formula C51H29N5S2 and a molecular weight of 775.96 g/mol. Its IUPAC name is 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID118888288
Molecular FormulaC51H29N5S2
Molecular Weight775.96 g/mol
Exact Mass775.19
IUPAC Name12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6cccc7c6sc6ccccc67)nc(-c6cccc7sc8ccccc8c67)n5)c4c32)cc1
InChIInChI=1S/C51H29N5S2/c1-2-14-30(15-3-1)55-40-23-8-4-16-31(40)34-28-29-35-32-17-5-9-24-41(32)56(47(35)46(34)55)51-53-49(38-21-13-27-44-45(38)37-19-7-11-26-43(37)57-44)52-50(54-51)39-22-12-20-36-33-18-6-10-25-42(33)58-48(36)39/h1-29H
InChIKeyLLFVVOTUZZUOLT-UHFFFAOYSA-N
XLogP14.14
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.96
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole 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

12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165560
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(3,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165508
12-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 163934459
5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 118154221
12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 134169019
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,6-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165507
9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 174170327
12-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 159601446
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
12-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888286
3-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-dibenzothiophen-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine;9-phenyl-1-[4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazin-2-yl]carbazole
CID 158295733

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole (CID 118888288) is 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6cccc7c6sc6ccccc67)nc(-c6cccc7sc8ccccc8c67)n5)c4c32)cc1.
What is the InChIKey of 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is LLFVVOTUZZUOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N5S2/c1-2-14-30(15-3-1)55-40-23-8-4-16-31(40)34-28-29-35-32-17-5-9-24-41(32)56(47(35)46(34)55)51-53-49(38-21-13-27-44-45(38)37-19-7-11-26-43(37)57-44)52-50(54-51)39-22-12-20-36-33-18-6-10-25-42(33)58-48(36)39/h1-29H.
What are the key properties of 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole?
12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 775.96 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 118888288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).