1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C42H28N2 — CID 169059391

About 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole

1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 169059391) has the molecular formula C42H28N2 and a molecular weight of 572.77 g/mol. Its IUPAC name is 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 169059391
• Molecular Formula: C42H28N2
• Molecular Weight: 572.77 g/mol
• Exact Mass: 572.30
• IUPAC Name: 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
• SMILES: [2H]c1ccccc1-c1ccc(-n2c3c([2H])cc([2H])c([2H])c3c3c([2H])c(-c4cc([2H])c5c(c4[2H])c4c([2H])c([2H])cc([2H])c4n5-c4ccccc4)cc([2H])c32)c([2H])c1
• InChI: InChI=1S/C42H28N2/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-40-18-10-8-16-36(40)38-28-32(22-26-42(38)44)31-21-25-41-37(27-31)35-15-7-9-17-39(35)43(41)33-13-5-2-6-14-33/h1-28H/i7D,8D,11D,15D,16D,17D,18D,23D,25D,26D,27D,28D
• InChIKey: PFCJGRHBQVDYQK-ZOUHUHLQSA-N
• XLogP: 11.21
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.77
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 169059391) is 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole is [2H]c1ccccc1-c1ccc(-n2c3c([2H])cc([2H])c([2H])c3c3c([2H])c(-c4cc([2H])c5c(c4[2H])c4c([2H])c([2H])cc([2H])c4n5-c4ccccc4)cc([2H])c32)c([2H])c1.

What is the InChIKey of 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is PFCJGRHBQVDYQK-ZOUHUHLQSA-N. The full InChI is InChI=1S/C42H28N2/c1-3-11-29(12-4-1)30-19-23-34(24-20-30)44-40-18-10-8-16-36(40)38-28-32(22-26-42(38)44)31-21-25-41-37(27-31)35-15-7-9-17-39(35)43(41)33-13-5-2-6-14-33/h1-28H/i7D,8D,11D,15D,16D,17D,18D,23D,25D,26D,27D,28D.

What are the key properties of 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole?

1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 572.77 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,5,8-pentadeuterio-6-[1,4,5,6,8-pentadeuterio-9-[2-deuterio-4-(2-deuteriophenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 169059391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).