1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole

C25H19N — CID 172524274

About 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole

1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole (PubChem CID 172524274) has the molecular formula C25H19N and a molecular weight of 349.53 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
• PubChem CID: 172524274
• Molecular Formula: C25H19N
• Molecular Weight: 349.53 g/mol
• Exact Mass: 349.25
• IUPAC Name: 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C25H19N/c1-18-8-7-11-21(16-18)26-24-13-6-5-12-22(24)23-17-20(14-15-25(23)26)19-9-3-2-4-10-19/h2-17H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D
• InChIKey: USKBPCKFDHLXQC-YMFOHVQMSA-N
• XLogP: 6.76
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	349.53
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole (CID 172524274) is 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole.

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

The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c3c(c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2n3-c2c([2H])c([2H])c([2H])c(C)c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole?

The InChIKey is USKBPCKFDHLXQC-YMFOHVQMSA-N. The full InChI is InChI=1S/C25H19N/c1-18-8-7-11-21(16-18)26-24-13-6-5-12-22(24)23-17-20(14-15-25(23)26)19-9-3-2-4-10-19/h2-17H,1H3/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D.

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

1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole has a molecular weight of 349.53 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,7,8-heptadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole is sourced from PubChem (CID 172524274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).