5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole

C51H33N5 — CID 176824181

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole (PubChem CID 176824181) has the molecular formula C51H33N5 and a molecular weight of 728.94 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole
• PubChem CID: 176824181
• Molecular Formula: C51H33N5
• Molecular Weight: 728.94 g/mol
• Exact Mass: 728.36
• IUPAC Name: 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C51H33N5/c1-4-16-34(17-5-1)35-28-30-36(31-29-35)39-22-10-13-25-44(39)55-45-26-14-11-23-40(45)42-32-43-41-24-12-15-27-46(41)56(48(43)33-47(42)55)51-53-49(37-18-6-2-7-19-37)52-50(54-51)38-20-8-3-9-21-38/h1-33H/i1D,4D,5D,10D,13D,16D,17D,22D,25D,28D,29D,30D,31D
• InChIKey: DJRQMKLIZLIWSW-ZZELKCQQSA-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	728.94
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole?

The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole (CID 176824181) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole?

The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c([2H])c3-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole?

The InChIKey is DJRQMKLIZLIWSW-ZZELKCQQSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-16-34(17-5-1)35-28-30-36(31-29-35)39-22-10-13-25-44(39)55-45-26-14-11-23-40(45)42-32-43-41-24-12-15-27-46(41)56(48(43)33-47(42)55)51-53-49(37-18-6-2-7-19-37)52-50(54-51)38-20-8-3-9-21-38/h1-33H/i1D,4D,5D,10D,13D,16D,17D,22D,25D,28D,29D,30D,31D.

What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole?

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole has a molecular weight of 728.94 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 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 176824181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).