9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole

C135H78N12S6 — CID 158503145

IUPAC9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H]
InChIInChI=1S/3C45H26N4S2/c1-2-13-27(14-3-1)43-46-44(33-20-10-18-31-30-17-6-9-25-38(30)50-41(31)33)48-45(47-43)34-21-11-19-32-40-37(24-12-26-39(40)51-42(32)34)49-35-22-7-4-15-28(35)29-16-5-8-23-36(29)49;1-2-12-27(13-3-1)43-46-44(28-24-25-32-31-16-6-9-22-38(31)50-40(32)26-28)48-45(47-43)34-18-10-17-33-41-37(21-11-23-39(41)51-42(33)34)49-35-19-7-4-14-29(35)30-15-5-8-20-36(30)49;1-2-12-27(13-3-1)43-46-44(28-24-25-39-34(26-28)31-16-6-9-22-38(31)50-39)48-45(47-43)33-18-10-17-32-41-37(21-11-23-40(41)51-42(32)33)49-35-19-7-4-14-29(35)30-15-5-8-20-36(30)49/h3*1-26H/i1D,2D,3D,13D,14D;2*1D,2D,3D,12D,13D
InChIKeyHKDLODKOBNLFJP-UJCAAUOOSA-N
MW2075.69 g/mol
LogP38.12
Rot. Bonds12

About 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole

9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole (PubChem CID 158503145) has the molecular formula C135H78N12S6 and a molecular weight of 2075.69 g/mol. Its IUPAC name is 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole.

Molecular Properties

Compound Name9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole
PubChem CID158503145
Molecular FormulaC135H78N12S6
Molecular Weight2075.69 g/mol
Exact Mass2073.57
IUPAC Name9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H]
InChIInChI=1S/3C45H26N4S2/c1-2-13-27(14-3-1)43-46-44(33-20-10-18-31-30-17-6-9-25-38(30)50-41(31)33)48-45(47-43)34-21-11-19-32-40-37(24-12-26-39(40)51-42(32)34)49-35-22-7-4-15-28(35)29-16-5-8-23-36(29)49;1-2-12-27(13-3-1)43-46-44(28-24-25-32-31-16-6-9-22-38(31)50-40(32)26-28)48-45(47-43)34-18-10-17-33-41-37(21-11-23-39(41)51-42(33)34)49-35-19-7-4-14-29(35)30-15-5-8-20-36(30)49;1-2-12-27(13-3-1)43-46-44(28-24-25-39-34(26-28)31-16-6-9-22-38(31)50-39)48-45(47-43)33-18-10-17-32-41-37(21-11-23-40(41)51-42(32)33)49-35-19-7-4-14-29(35)30-15-5-8-20-36(30)49/h3*1-26H/i1D,2D,3D,13D,14D;2*1D,2D,3D,12D,13D
InChIKeyHKDLODKOBNLFJP-UJCAAUOOSA-N
XLogP38.12
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.69
LogP ≤ 538.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]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

9-[8-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 162055550
9-[4-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole
CID 163958327
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010600
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15(20),16,18-nonaen-5-yl]carbazole
CID 146664284
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169010953
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169011191
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962189
9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole;9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyldibenzothiophen-2-yl]carbazole;9-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-2-yl]carbazole
CID 163501984
9-[7-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[7-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[7-[4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole
CID 158845503
9-[8-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 159030774
9-[7-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 158219453
5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 165166124

Frequently Asked Questions

What is the IUPAC name of 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole?
The IUPAC name of 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole (CID 158503145) is 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole.
What is the SMILES notation for 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole?
The canonical SMILES for 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)n2)c([2H])c1[2H].
What is the InChIKey of 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole?
The InChIKey is HKDLODKOBNLFJP-UJCAAUOOSA-N. The full InChI is InChI=1S/3C45H26N4S2/c1-2-13-27(14-3-1)43-46-44(33-20-10-18-31-30-17-6-9-25-38(30)50-41(31)33)48-45(47-43)34-21-11-19-32-40-37(24-12-26-39(40)51-42(32)34)49-35-22-7-4-15-28(35)29-16-5-8-23-36(29)49;1-2-12-27(13-3-1)43-46-44(28-24-25-32-31-16-6-9-22-38(31)50-40(32)26-28)48-45(47-43)34-18-10-17-33-41-37(21-11-23-39(41)51-42(33)34)49-35-19-7-4-14-29(35)30-15-5-8-20-36(30)49;1-2-12-27(13-3-1)43-46-44(28-24-25-39-34(26-28)31-16-6-9-22-38(31)50-39)48-45(47-43)33-18-10-17-32-41-37(21-11-23-40(41)51-42(32)33)49-35-19-7-4-14-29(35)30-15-5-8-20-36(30)49/h3*1-26H/i1D,2D,3D,13D,14D;2*1D,2D,3D,12D,13D.
What are the key properties of 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole?
9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole has a molecular weight of 2075.69 g/mol, XLogP of 38.12, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[4-dibenzothiophen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole;9-[6-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]carbazole is sourced from PubChem (CID 158503145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).