2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline

C48H34N2 — CID 165384217

About 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline (PubChem CID 165384217) has the molecular formula C48H34N2 and a molecular weight of 660.95 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
• PubChem CID: 165384217
• Molecular Formula: C48H34N2
• Molecular Weight: 660.95 g/mol
• Exact Mass: 660.41
• IUPAC Name: 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C48H34N2/c1-4-13-35(14-5-1)37-23-28-42(29-24-37)49(43-30-25-38(26-31-43)36-15-6-2-7-16-36)44-20-12-17-39(33-44)40-27-32-48-46(34-40)45-21-10-11-22-47(45)50(48)41-18-8-3-9-19-41/h1-34H/i1D,2D,4D,5D,6D,7D,12D,13D,14D,15D,16D,17D,20D,23D,24D,25D,26D,28D,29D,30D,31D,33D
• InChIKey: QGASXPAGHAGIKJ-CYPFVOQQSA-N
• XLogP: 13.25
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.95
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?

The IUPAC name of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline (CID 165384217) is 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline.

What is the SMILES notation for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?

The canonical SMILES for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?

The InChIKey is QGASXPAGHAGIKJ-CYPFVOQQSA-N. The full InChI is InChI=1S/C48H34N2/c1-4-13-35(14-5-1)37-23-28-42(29-24-37)49(43-30-25-38(26-31-43)36-15-6-2-7-16-36)44-20-12-17-39(33-44)40-27-32-48-46(34-40)45-21-10-11-22-47(45)50(48)41-18-8-3-9-19-41/h1-34H/i1D,2D,4D,5D,6D,7D,12D,13D,14D,15D,16D,17D,20D,23D,24D,25D,26D,28D,29D,30D,31D,33D.

What are the key properties of 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline?

2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline has a molecular weight of 660.95 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline is sourced from PubChem (CID 165384217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).