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

C51H32N6 — CID 169046430

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

1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-(1,3,6,8-tetradeuteriocarbazol-9-yl)-6-[5,6,7,8-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 169046430) has the molecular formula C51H32N6 and a molecular weight of 749.99 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-(1,3,6,8-tetradeuteriocarbazol-9-yl)-6-[5,6,7,8-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-(1,3,6,8-tetradeuteriocarbazol-9-yl)-6-[5,6,7,8-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 169046430
• Molecular Formula: C51H32N6
• Molecular Weight: 749.99 g/mol
• Exact Mass: 749.40
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-(1,3,6,8-tetradeuteriocarbazol-9-yl)-6-[5,6,7,8-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: [2H]c1cc([2H])c2c(c1)c1cc([2H])cc([2H])c1n2-c1nc(-c2ccc3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3c2)nc(-c2ccccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
• InChI: InChI=1S/C51H32N6/c1-2-16-34(17-3-1)55-42-24-10-4-22-39(42)40-31-30-33(32-48(40)55)49-52-50(54-51(53-49)57-45-27-13-7-20-37(45)38-21-8-14-28-46(38)57)41-23-9-15-29-47(41)56-43-25-11-5-18-35(43)36-19-6-12-26-44(36)56/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,10D,11D,12D,16D,17D,18D,19D,22D,24D,25D,26D,27D,28D
• InChIKey: MCIXUSSCGJYSLB-AGCNKWNRSA-N
• XLogP: 12.50
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.99
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-(1,3,6,8-tetradeuteriocarbazol-9-yl)-6-[5,6,7,8-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 169046430) is 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-(1,3,6,8-tetradeuteriocarbazol-9-yl)-6-[5,6,7,8-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]-1,3,5-triazin-2-yl]phenyl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-(1,3,6,8-tetradeuteriocarbazol-9-yl)-6-[5,6,7,8-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1cc([2H])c2c(c1)c1cc([2H])cc([2H])c1n2-c1nc(-c2ccc3c4c([2H])c([2H])c([2H])c([2H])c4n(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3c2)nc(-c2ccccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1.

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

The InChIKey is MCIXUSSCGJYSLB-AGCNKWNRSA-N. The full InChI is InChI=1S/C51H32N6/c1-2-16-34(17-3-1)55-42-24-10-4-22-39(42)40-31-30-33(32-48(40)55)49-52-50(54-51(53-49)57-45-27-13-7-20-37(45)38-21-8-14-28-46(38)57)41-23-9-15-29-47(41)56-43-25-11-5-18-35(43)36-19-6-12-26-44(36)56/h1-32H/i1D,2D,3D,4D,5D,6D,7D,8D,10D,11D,12D,16D,17D,18D,19D,22D,24D,25D,26D,27D,28D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-(1,3,6,8-tetradeuteriocarbazol-9-yl)-6-[5,6,7,8-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 749.99 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[2-[4-(1,3,6,8-tetradeuteriocarbazol-9-yl)-6-[5,6,7,8-tetradeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-2-yl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 169046430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).