9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

C51H32N6 — CID 171578367

About 9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (PubChem CID 171578367) has the molecular formula C51H32N6 and a molecular weight of 744.96 g/mol. Its IUPAC name is 9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

Molecular Properties

• Compound Name: 9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
• PubChem CID: 171578367
• Molecular Formula: C51H32N6
• Molecular Weight: 744.96 g/mol
• Exact Mass: 744.37
• IUPAC Name: 9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2cc(-c3ccccc3)ccc2-n2c3ccccc3c3ccccc32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
• InChI: InChI=1S/C51H32N6/c1-2-16-33(17-3-1)34-30-31-48(55-42-24-10-4-18-35(42)36-19-5-11-25-43(36)55)41(32-34)49-52-50(56-44-26-12-6-20-37(44)38-21-7-13-27-45(38)56)54-51(53-49)57-46-28-14-8-22-39(46)40-23-9-15-29-47(40)57/h1-32H/i6D,7D,8D,9D,12D,13D,14D,15D,20D,21D,22D,23D,26D,27D,28D,29D
• InChIKey: NHBBGXCFQGRIMM-SJSSKEGWSA-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	744.96
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (CID 171578367) is 9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

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

The canonical SMILES for 9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2cc(-c3ccccc3)ccc2-n2c3ccccc3c3ccccc32)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1.

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

The InChIKey is NHBBGXCFQGRIMM-SJSSKEGWSA-N. The full InChI is InChI=1S/C51H32N6/c1-2-16-33(17-3-1)34-30-31-48(55-42-24-10-4-18-35(42)36-19-5-11-25-43(36)55)41(32-34)49-52-50(56-44-26-12-6-20-37(44)38-21-7-13-27-45(38)56)54-51(53-49)57-46-28-14-8-22-39(46)40-23-9-15-29-47(40)57/h1-32H/i6D,7D,8D,9D,12D,13D,14D,15D,20D,21D,22D,23D,26D,27D,28D,29D.

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

9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole has a molecular weight of 744.96 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 9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is sourced from PubChem (CID 171578367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).