7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole

C51H32N6 — CID 172513412

About 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole

7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (PubChem CID 172513412) has the molecular formula C51H32N6 and a molecular weight of 733.89 g/mol. Its IUPAC name is 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• PubChem CID: 172513412
• Molecular Formula: C51H32N6
• Molecular Weight: 733.89 g/mol
• Exact Mass: 733.30
• IUPAC Name: 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5)c4cc32)c([2H])c1[2H]
• InChI: InChI=1S/C51H32N6/c1-4-16-33(17-5-1)49-52-50(34-28-29-40-37-22-10-13-25-43(37)55(46(40)30-34)35-18-6-2-7-19-35)54-51(53-49)57-45-27-15-12-24-39(45)42-31-41-38-23-11-14-26-44(38)56(47(41)32-48(42)57)36-20-8-3-9-21-36/h1-32H/i3D,8D,9D,20D,21D
• InChIKey: INUDJQKOZPKJKL-YBWSHAMKSA-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	733.89
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The IUPAC name of 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (CID 172513412) is 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

What is the SMILES notation for 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The canonical SMILES for 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)n5)c4cc32)c([2H])c1[2H].

What is the InChIKey of 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The InChIKey is INUDJQKOZPKJKL-YBWSHAMKSA-N. The full InChI is InChI=1S/C51H32N6/c1-4-16-33(17-5-1)49-52-50(34-28-29-40-37-22-10-13-25-43(37)55(46(40)30-34)35-18-6-2-7-19-35)54-51(53-49)57-45-27-15-12-24-39(45)42-31-41-38-23-11-14-26-44(38)56(47(41)32-48(42)57)36-20-8-3-9-21-36/h1-32H/i3D,8D,9D,20D,21D.

What are the key properties of 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole has a molecular weight of 733.89 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 7-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 172513412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).