3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

C57H35N7 — CID 171578351

About 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 171578351) has the molecular formula C57H35N7 and a molecular weight of 845.12 g/mol. Its IUPAC name is 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 171578351
• Molecular Formula: C57H35N7
• Molecular Weight: 845.12 g/mol
• Exact Mass: 844.46
• IUPAC Name: 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c(-c2nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6ccccc6c6ccccc65)c([2H])c([2H])c43)n2)c1[2H]
• InChI: InChI=1S/C57H35N7/c1-9-25-46-37(17-1)38-18-2-10-26-47(38)61(46)36-33-34-54-45(35-36)43-23-7-15-31-52(43)64(54)57-59-55(58-56(60-57)63-50-29-13-5-21-41(50)42-22-6-14-30-51(42)63)44-24-8-16-32-53(44)62-48-27-11-3-19-39(48)40-20-4-12-28-49(40)62/h1-35H/i3D,4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,19D,20D,21D,22D,23D,24D,27D,28D,29D,30D,31D,32D,33D,34D,35D
• InChIKey: RWNSSOIVTDABFO-JBURVFQRSA-N
• XLogP: 13.93
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.12
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 171578351) is 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)c(-c2nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)nc(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c(-n5c6ccccc6c6ccccc65)c([2H])c([2H])c43)n2)c1[2H].

What is the InChIKey of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is RWNSSOIVTDABFO-JBURVFQRSA-N. The full InChI is InChI=1S/C57H35N7/c1-9-25-46-37(17-1)38-18-2-10-26-47(38)61(46)36-33-34-54-45(35-36)43-23-7-15-31-52(43)64(54)57-59-55(58-56(60-57)63-50-29-13-5-21-41(50)42-22-6-14-30-51(42)63)44-24-8-16-32-53(44)62-48-27-11-3-19-39(48)40-20-4-12-28-49(40)62/h1-35H/i3D,4D,5D,6D,7D,8D,11D,12D,13D,14D,15D,16D,19D,20D,21D,22D,23D,24D,27D,28D,29D,30D,31D,32D,33D,34D,35D.

What are the key properties of 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?

3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 845.12 g/mol, XLogP of 13.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 171578351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).