2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole

C51H33N5 — CID 164847703

About 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole

2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole (PubChem CID 164847703) has the molecular formula C51H33N5 and a molecular weight of 720.89 g/mol. Its IUPAC name is 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
• PubChem CID: 164847703
• Molecular Formula: C51H33N5
• Molecular Weight: 720.89 g/mol
• Exact Mass: 720.30
• IUPAC Name: 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
• SMILES: [2H]c1cc([2H])c2c(c1)c1c(c([2H])cc3c4cc([2H])cc([2H])c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c31)n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1
• InChI: InChI=1S/C51H33N5/c1-5-17-34(18-6-1)38-31-39(35-19-7-2-8-20-35)33-40(32-38)55-45-28-16-14-26-43(45)47-46(55)30-29-42-41-25-13-15-27-44(41)56(48(42)47)51-53-49(36-21-9-3-10-22-36)52-50(54-51)37-23-11-4-12-24-37/h1-33H/i13D,14D,27D,28D,30D
• InChIKey: QQYASMOCSCUUBY-HRWKSZIXSA-N
• XLogP: 12.73
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.89
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

The IUPAC name of 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole (CID 164847703) is 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole.

What is the SMILES notation for 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

The canonical SMILES for 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole is [2H]c1cc([2H])c2c(c1)c1c(c([2H])cc3c4cc([2H])cc([2H])c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c31)n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1.

What is the InChIKey of 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

The InChIKey is QQYASMOCSCUUBY-HRWKSZIXSA-N. The full InChI is InChI=1S/C51H33N5/c1-5-17-34(18-6-1)38-31-39(35-19-7-2-8-20-35)33-40(32-38)55-45-28-16-14-26-43(45)47-46(55)30-29-42-41-25-13-15-27-44(41)56(48(42)47)51-53-49(36-21-9-3-10-22-36)52-50(54-51)37-23-11-4-12-24-37/h1-33H/i13D,14D,27D,28D,30D.

What are the key properties of 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole?

2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole has a molecular weight of 720.89 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6,9,11-pentadeuterio-5-(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 164847703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).