5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

C72H38N8S4 — CID 88949864

IUPAC5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7ccc8sc9ccccc9c8c7)n6)c45)n3)cc12
InChIInChI=1S/C72H38N8S4/c1-7-19-54-43(13-1)48-29-30-56-65(66(48)80(54)72-77-69(41-27-33-63-52(37-41)46-16-5-11-23-59(46)83-63)74-70(78-72)42-28-34-64-53(38-42)47-17-6-12-24-60(47)84-64)49-18-2-8-20-55(49)79(56)71-75-67(39-25-31-61-50(35-39)44-14-3-9-21-57(44)81-61)73-68(76-71)40-26-32-62-51(36-40)45-15-4-10-22-58(45)82-62/h1-38H
InChIKeyYNMRGAYEFVCATP-UHFFFAOYSA-N
MW1143.42 g/mol
LogP20.39
Rot. Bonds6

About 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole

5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 88949864) has the molecular formula C72H38N8S4 and a molecular weight of 1143.42 g/mol. Its IUPAC name is 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
PubChem CID88949864
Molecular FormulaC72H38N8S4
Molecular Weight1143.42 g/mol
Exact Mass1142.21
IUPAC Name5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7ccc8sc9ccccc9c8c7)n6)c45)n3)cc12
InChIInChI=1S/C72H38N8S4/c1-7-19-54-43(13-1)48-29-30-56-65(66(48)80(54)72-77-69(41-27-33-63-52(37-41)46-16-5-11-23-59(46)83-63)74-70(78-72)42-28-34-64-53(38-42)47-17-6-12-24-60(47)84-64)49-18-2-8-20-55(49)79(56)71-75-67(39-25-31-61-50(35-39)44-14-3-9-21-57(44)81-61)73-68(76-71)40-26-32-62-51(36-40)45-15-4-10-22-58(45)82-62/h1-38H
InChIKeyYNMRGAYEFVCATP-UHFFFAOYSA-N
XLogP20.39
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.42
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The IUPAC name of 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (CID 88949864) is 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is c1ccc2c(c1)sc1ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6nc(-c7ccc8sc9ccccc9c8c7)nc(-c7ccc8sc9ccccc9c8c7)n6)c45)n3)cc12.
What is the InChIKey of 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
The InChIKey is YNMRGAYEFVCATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H38N8S4/c1-7-19-54-43(13-1)48-29-30-56-65(66(48)80(54)72-77-69(41-27-33-63-52(37-41)46-16-5-11-23-59(46)83-63)74-70(78-72)42-28-34-64-53(38-42)47-17-6-12-24-60(47)84-64)49-18-2-8-20-55(49)79(56)71-75-67(39-25-31-61-50(35-39)44-14-3-9-21-57(44)81-61)73-68(76-71)40-26-32-62-51(36-40)45-15-4-10-22-58(45)82-62/h1-38H.
What are the key properties of 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole?
5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole has a molecular weight of 1143.42 g/mol, XLogP of 20.39, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole is sourced from PubChem (CID 88949864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).