12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole

C135H81N15OS2 — CID 163658142

IUPAC12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7c6oc6ccccc67)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7sc8ccccc8c67)c5c43)n2)c([2H])c1[2H]
InChIInChI=1S/C45H27N5O.2C45H27N5S/c1-3-14-28(15-4-1)43-46-44(29-16-5-2-6-17-29)48-45(47-43)50-37-23-11-8-19-31(37)34-27-26-33-30-18-7-10-22-36(30)49(40(33)41(34)50)38-24-13-21-35-32-20-9-12-25-39(32)51-42(35)38;1-3-14-28(15-4-1)43-46-44(29-16-5-2-6-17-29)48-45(47-43)50-36-22-11-8-19-31(36)33-27-26-32-30-18-7-10-21-35(30)49(41(32)42(33)50)37-23-13-25-39-40(37)34-20-9-12-24-38(34)51-39;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-23-26-40-36(27-30)33-19-9-12-22-39(33)51-40/h3*1-27H/i2*1D,2D,3D,4D,5D,6D,14D,15D,16D,17D;1D,2D,3D,4D,5D,6D,13D,14D,15D,16D
InChIKeyISACUNXRILDJCT-HWTQFJAHSA-N
MW2023.55 g/mol
LogP34.83
Rot. Bonds12

About 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole

12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole (PubChem CID 163658142) has the molecular formula C135H81N15OS2 and a molecular weight of 2023.55 g/mol. Its IUPAC name is 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole
PubChem CID163658142
Molecular FormulaC135H81N15OS2
Molecular Weight2023.55 g/mol
Exact Mass2021.81
IUPAC Name12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7c6oc6ccccc67)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7sc8ccccc8c67)c5c43)n2)c([2H])c1[2H]
InChIInChI=1S/C45H27N5O.2C45H27N5S/c1-3-14-28(15-4-1)43-46-44(29-16-5-2-6-17-29)48-45(47-43)50-37-23-11-8-19-31(37)34-27-26-33-30-18-7-10-22-36(30)49(40(33)41(34)50)38-24-13-21-35-32-20-9-12-25-39(32)51-42(35)38;1-3-14-28(15-4-1)43-46-44(29-16-5-2-6-17-29)48-45(47-43)50-36-22-11-8-19-31(36)33-27-26-32-30-18-7-10-21-35(30)49(41(32)42(33)50)37-23-13-25-39-40(37)34-20-9-12-24-38(34)51-39;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-23-26-40-36(27-30)33-19-9-12-22-39(33)51-40/h3*1-27H/i2*1D,2D,3D,4D,5D,6D,14D,15D,16D,17D;1D,2D,3D,4D,5D,6D,13D,14D,15D,16D
InChIKeyISACUNXRILDJCT-HWTQFJAHSA-N
XLogP34.83
TPSA158.73 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002023.55
LogP ≤ 534.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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

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Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole (CID 163658142) is 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc7sc8ccccc8c7c6)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7c6oc6ccccc67)c5c43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7sc8ccccc8c67)c5c43)n2)c([2H])c1[2H].
What is the InChIKey of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole?
The InChIKey is ISACUNXRILDJCT-HWTQFJAHSA-N. The full InChI is InChI=1S/C45H27N5O.2C45H27N5S/c1-3-14-28(15-4-1)43-46-44(29-16-5-2-6-17-29)48-45(47-43)50-37-23-11-8-19-31(37)34-27-26-33-30-18-7-10-22-36(30)49(40(33)41(34)50)38-24-13-21-35-32-20-9-12-25-39(32)51-42(35)38;1-3-14-28(15-4-1)43-46-44(29-16-5-2-6-17-29)48-45(47-43)50-36-22-11-8-19-31(36)33-27-26-32-30-18-7-10-21-35(30)49(41(32)42(33)50)37-23-13-25-39-40(37)34-20-9-12-24-38(34)51-39;1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)50-38-21-11-8-18-32(38)35-25-24-34-31-17-7-10-20-37(31)49(41(34)42(35)50)30-23-26-40-36(27-30)33-19-9-12-22-39(33)51-40/h3*1-27H/i2*1D,2D,3D,4D,5D,6D,14D,15D,16D,17D;1D,2D,3D,4D,5D,6D,13D,14D,15D,16D.
What are the key properties of 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole?
12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole has a molecular weight of 2023.55 g/mol, XLogP of 34.83, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzofuran-4-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-1-ylindolo[2,3-a]carbazole;12-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-dibenzothiophen-2-ylindolo[2,3-a]carbazole is sourced from PubChem (CID 163658142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).