9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

C47H38N6 — CID 177133126

About 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (PubChem CID 177133126) has the molecular formula C47H38N6 and a molecular weight of 705.98 g/mol. Its IUPAC name is 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

Molecular Properties

• Compound Name: 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
• PubChem CID: 177133126
• Molecular Formula: C47H38N6
• Molecular Weight: 705.98 g/mol
• Exact Mass: 705.44
• IUPAC Name: 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
• SMILES: [2H]c1cc2c3c([2H])c([2H])c([2H])c([2H])c3n(-c3c([2H])c([2H])c([2H])c([2H])c3-c3nc(N4c5ccccc5C5(C)CCCCC45C)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)n3)c2c([2H])c1[2H]
• InChI: InChI=1S/C47H38N6/c1-46-29-15-16-30-47(46,2)53(42-28-14-8-22-36(42)46)45-49-43(48-44(50-45)52-39-25-11-5-19-33(39)34-20-6-12-26-40(34)52)35-21-7-13-27-41(35)51-37-23-9-3-17-31(37)32-18-4-10-24-38(32)51/h3-14,17-28H,15-16,29-30H2,1-2H3/i3D,4D,5D,6D,7D,9D,10D,11D,12D,13D,17D,19D,20D,21D,23D,24D,25D,26D,27D
• InChIKey: VOHAWOGLOXZOSV-ICRQCZGESA-N
• XLogP: 11.47
• TPSA: 51.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.98
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?

The IUPAC name of 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (CID 177133126) is 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

What is the SMILES notation for 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?

The canonical SMILES for 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is [2H]c1cc2c3c([2H])c([2H])c([2H])c([2H])c3n(-c3c([2H])c([2H])c([2H])c([2H])c3-c3nc(N4c5ccccc5C5(C)CCCCC45C)nc(-n4c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c54)n3)c2c([2H])c1[2H].

What is the InChIKey of 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?

The InChIKey is VOHAWOGLOXZOSV-ICRQCZGESA-N. The full InChI is InChI=1S/C47H38N6/c1-46-29-15-16-30-47(46,2)53(42-28-14-8-22-36(42)46)45-49-43(48-44(50-45)52-39-25-11-5-19-33(39)34-20-6-12-26-40(34)52)35-21-7-13-27-41(35)51-37-23-9-3-17-31(37)32-18-4-10-24-38(32)51/h3-14,17-28H,15-16,29-30H2,1-2H3/i3D,4D,5D,6D,7D,9D,10D,11D,12D,13D,17D,19D,20D,21D,23D,24D,25D,26D,27D.

What are the key properties of 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?

9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole has a molecular weight of 705.98 g/mol, XLogP of 11.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4a,9a-dimethyl-1,2,3,4-tetrahydrocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,6,7,8-heptadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is sourced from PubChem (CID 177133126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).