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

C36H24N2 — CID 170517385

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

4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (PubChem CID 170517385) has the molecular formula C36H24N2 and a molecular weight of 500.70 g/mol. Its IUPAC name is 4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
• PubChem CID: 170517385
• Molecular Formula: C36H24N2
• Molecular Weight: 500.70 g/mol
• Exact Mass: 500.29
• IUPAC Name: 4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c(-n5c6ccccc6c6ccccc65)c([2H])c([2H])c([2H])c43)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C36H24N2/c1-2-12-25(13-3-1)26-14-10-15-27(24-26)37-33-21-9-6-18-30(33)36-34(37)22-11-23-35(36)38-31-19-7-4-16-28(31)29-17-5-8-20-32(29)38/h1-24H/i1D,2D,3D,6D,9D,10D,11D,12D,13D,14D,15D,18D,21D,22D,23D,24D
• InChIKey: VNPSFRAXCXHOLC-YQXOTKKKSA-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	500.70
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole (CID 170517385) is 4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole.

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

The canonical SMILES for 4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c(-n5c6ccccc6c6ccccc65)c([2H])c([2H])c([2H])c43)c2[2H])c([2H])c1[2H].

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

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

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

4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole has a molecular weight of 500.70 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 4-carbazol-9-yl-1,2,3,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole is sourced from PubChem (CID 170517385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).