5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole

C180H116N20 — CID 163613158

IUPAC5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccccc4)cc3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5cc43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5cc43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6-c6ccccc6)c5cc43)n2)c([2H])c1[2H]
InChIInChI=1S/4C45H29N5/c1-4-16-30(17-5-1)33-22-10-13-25-38(33)49-39-26-14-11-23-34(39)36-28-37-35-24-12-15-27-40(35)50(42(37)29-41(36)49)45-47-43(31-18-6-2-7-19-31)46-44(48-45)32-20-8-3-9-21-32;1-4-15-30(16-5-1)33-21-14-22-34(27-33)49-39-25-12-10-23-35(39)37-28-38-36-24-11-13-26-40(36)50(42(38)29-41(37)49)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-22-12-10-20-35(39)37-29-42-38(28-41(37)49)36-21-11-13-23-40(36)50(42)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-22-12-10-20-35(39)37-28-38-36-21-11-13-23-40(36)50(42(38)29-41(37)49)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33/h4*1-29H/i2D,3D,6D,7D,8D,9D,18D,19D,20D,21D;2D,3D,6D,7D,8D,9D,17D,18D,19D,20D;2*2D,3D,6D,7D,8D,9D,16D,17D,18D,19D
InChIKeyHHRNFVHDYGJWRE-QLZYAMSYSA-N
MW2599.29 g/mol
LogP44.27
Rot. Bonds20

About 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole

5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 163613158) has the molecular formula C180H116N20 and a molecular weight of 2599.29 g/mol. Its IUPAC name is 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
PubChem CID163613158
Molecular FormulaC180H116N20
Molecular Weight2599.29 g/mol
Exact Mass2597.22
IUPAC Name5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccccc4)cc3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5cc43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5cc43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6-c6ccccc6)c5cc43)n2)c([2H])c1[2H]
InChIInChI=1S/4C45H29N5/c1-4-16-30(17-5-1)33-22-10-13-25-38(33)49-39-26-14-11-23-34(39)36-28-37-35-24-12-15-27-40(35)50(42(37)29-41(36)49)45-47-43(31-18-6-2-7-19-31)46-44(48-45)32-20-8-3-9-21-32;1-4-15-30(16-5-1)33-21-14-22-34(27-33)49-39-25-12-10-23-35(39)37-28-38-36-24-11-13-26-40(36)50(42(38)29-41(37)49)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-22-12-10-20-35(39)37-29-42-38(28-41(37)49)36-21-11-13-23-40(36)50(42)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-22-12-10-20-35(39)37-28-38-36-21-11-13-23-40(36)50(42(38)29-41(37)49)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33/h4*1-29H/i2D,3D,6D,7D,8D,9D,18D,19D,20D,21D;2D,3D,6D,7D,8D,9D,17D,18D,19D,20D;2*2D,3D,6D,7D,8D,9D,16D,17D,18D,19D
InChIKeyHHRNFVHDYGJWRE-QLZYAMSYSA-N
XLogP44.27
TPSA194.12 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms200
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002599.29
LogP ≤ 544.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole?
The IUPAC name of 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole (CID 163613158) is 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole?
The canonical SMILES for 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole is [2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccccc4)cc3)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5cc43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5cc43)n2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2nc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6-c6ccccc6)c5cc43)n2)c([2H])c1[2H].
What is the InChIKey of 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole?
The InChIKey is HHRNFVHDYGJWRE-QLZYAMSYSA-N. The full InChI is InChI=1S/4C45H29N5/c1-4-16-30(17-5-1)33-22-10-13-25-38(33)49-39-26-14-11-23-34(39)36-28-37-35-24-12-15-27-40(35)50(42(37)29-41(36)49)45-47-43(31-18-6-2-7-19-31)46-44(48-45)32-20-8-3-9-21-32;1-4-15-30(16-5-1)33-21-14-22-34(27-33)49-39-25-12-10-23-35(39)37-28-38-36-24-11-13-26-40(36)50(42(38)29-41(37)49)45-47-43(31-17-6-2-7-18-31)46-44(48-45)32-19-8-3-9-20-32;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-22-12-10-20-35(39)37-29-42-38(28-41(37)49)36-21-11-13-23-40(36)50(42)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-22-12-10-20-35(39)37-28-38-36-21-11-13-23-40(36)50(42(38)29-41(37)49)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33/h4*1-29H/i2D,3D,6D,7D,8D,9D,18D,19D,20D,21D;2D,3D,6D,7D,8D,9D,17D,18D,19D,20D;2*2D,3D,6D,7D,8D,9D,16D,17D,18D,19D.
What are the key properties of 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole?
5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole has a molecular weight of 2599.29 g/mol, XLogP of 44.27, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(2-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 163613158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).