12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

C138H87N15S2 — CID 163652492

IUPAC12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3-c3ccccc3C4(C)C)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c([2H])c1[2H]
InChIInChI=1S/C48H33N5.2C45H27N5S/c1-48(2)38-24-12-9-22-36(38)42-37(23-15-25-39(42)48)46-49-45(30-16-5-3-6-17-30)50-47(51-46)53-41-27-14-11-21-33(41)35-29-28-34-32-20-10-13-26-40(32)52(43(34)44(35)53)31-18-7-4-8-19-31;1-3-14-28(15-4-1)43-46-44(36-22-13-21-35-32-20-9-12-25-39(32)51-42(35)36)48-45(47-43)50-38-24-11-8-19-31(38)34-27-26-33-30-18-7-10-23-37(30)49(40(33)41(34)50)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-24-34-33-19-9-12-22-39(33)51-40(34)27-29)48-45(47-43)50-38-21-11-8-18-32(38)36-26-25-35-31-17-7-10-20-37(31)49(41(35)42(36)50)30-15-5-2-6-16-30/h3-29H,1-2H3;2*1-27H/i3D,5D,6D,16D,17D;1D,3D,4D,14D,15D;1D,3D,4D,13D,14D
InChIKeyINKNCHDHOAQVDF-ITPSJWSWSA-N
MW2034.54 g/mol
LogP35.24
Rot. Bonds12

About 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 163652492) has the molecular formula C138H87N15S2 and a molecular weight of 2034.54 g/mol. Its IUPAC name is 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID163652492
Molecular FormulaC138H87N15S2
Molecular Weight2034.54 g/mol
Exact Mass2032.77
IUPAC Name12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3-c3ccccc3C4(C)C)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c([2H])c1[2H]
InChIInChI=1S/C48H33N5.2C45H27N5S/c1-48(2)38-24-12-9-22-36(38)42-37(23-15-25-39(42)48)46-49-45(30-16-5-3-6-17-30)50-47(51-46)53-41-27-14-11-21-33(41)35-29-28-34-32-20-10-13-26-40(32)52(43(34)44(35)53)31-18-7-4-8-19-31;1-3-14-28(15-4-1)43-46-44(36-22-13-21-35-32-20-9-12-25-39(32)51-42(35)36)48-45(47-43)50-38-24-11-8-19-31(38)34-27-26-33-30-18-7-10-23-37(30)49(40(33)41(34)50)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-24-34-33-19-9-12-22-39(33)51-40(34)27-29)48-45(47-43)50-38-21-11-8-18-32(38)36-26-25-35-31-17-7-10-20-37(31)49(41(35)42(36)50)30-15-5-2-6-16-30/h3-29H,1-2H3;2*1-27H/i3D,5D,6D,16D,17D;1D,3D,4D,14D,15D;1D,3D,4D,13D,14D
InChIKeyINKNCHDHOAQVDF-ITPSJWSWSA-N
XLogP35.24
TPSA145.59 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.54
LogP ≤ 535.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (CID 163652492) is 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3-c3ccccc3C4(C)C)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c([2H])c1[2H].
What is the InChIKey of 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is INKNCHDHOAQVDF-ITPSJWSWSA-N. The full InChI is InChI=1S/C48H33N5.2C45H27N5S/c1-48(2)38-24-12-9-22-36(38)42-37(23-15-25-39(42)48)46-49-45(30-16-5-3-6-17-30)50-47(51-46)53-41-27-14-11-21-33(41)35-29-28-34-32-20-10-13-26-40(32)52(43(34)44(35)53)31-18-7-4-8-19-31;1-3-14-28(15-4-1)43-46-44(36-22-13-21-35-32-20-9-12-25-39(32)51-42(35)36)48-45(47-43)50-38-24-11-8-19-31(38)34-27-26-33-30-18-7-10-23-37(30)49(40(33)41(34)50)29-16-5-2-6-17-29;1-3-13-28(14-4-1)43-46-44(29-23-24-34-33-19-9-12-22-39(33)51-40(34)27-29)48-45(47-43)50-38-21-11-8-18-32(38)36-26-25-35-31-17-7-10-20-37(31)49(41(35)42(36)50)30-15-5-2-6-16-30/h3-29H,1-2H3;2*1-27H/i3D,5D,6D,16D,17D;1D,3D,4D,14D,15D;1D,3D,4D,13D,14D.
What are the key properties of 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 2034.54 g/mol, XLogP of 35.24, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-dibenzothiophen-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 163652492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).