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

C36H24N2 — CID 170517406

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

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole (PubChem CID 170517406) has the molecular formula C36H24N2 and a molecular weight of 501.71 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole
• PubChem CID: 170517406
• Molecular Formula: C36H24N2
• Molecular Weight: 501.71 g/mol
• Exact Mass: 501.30
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-n3c4ccccc4c4ccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)cc43)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)38-35-20-9-6-17-31(35)32-22-21-28(24-36(32)38)37-33-18-7-4-15-29(33)30-16-5-8-19-34(30)37/h1-24H/i1D,2D,3D,4D,5D,7D,8D,10D,11D,12D,13D,14D,15D,16D,18D,19D,23D
• InChIKey: BVXYFXWQDXYBDL-BVWBJJPXSA-N
• XLogP: 9.55
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.71
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole (CID 170517406) is 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole.

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

The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-n3c4ccccc4c4ccc(-n5c6c([2H])c([2H])c([2H])c([2H])c6c6c([2H])c([2H])c([2H])c([2H])c65)cc43)c2[2H])c([2H])c1[2H].

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

The InChIKey is BVXYFXWQDXYBDL-BVWBJJPXSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)38-35-20-9-6-17-31(35)32-22-21-28(24-36(32)38)37-33-18-7-4-15-29(33)30-16-5-8-19-34(30)37/h1-24H/i1D,2D,3D,4D,5D,7D,8D,10D,11D,12D,13D,14D,15D,16D,18D,19D,23D.

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

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole has a molecular weight of 501.71 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170517406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).