1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole

C60H38N2S — CID 176854168

About 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole

1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole (PubChem CID 176854168) has the molecular formula C60H38N2S and a molecular weight of 847.22 g/mol. Its IUPAC name is 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole.

Molecular Properties

• Compound Name: 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole
• PubChem CID: 176854168
• Molecular Formula: C60H38N2S
• Molecular Weight: 847.22 g/mol
• Exact Mass: 846.45
• IUPAC Name: 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole
• SMILES: [2H]c1cc([2H])c(-c2c([2H])cc([2H])c(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c5sc6c(-n7c8c([2H])c([2H])c(-c9c([2H])c([2H])c([2H])c%10c9c9cc([2H])c([2H])c([2H])c9n%10-c9ccccc9)cc8c8c([2H])c([2H])c([2H])c([2H])c87)cc([2H])c([2H])c6c5c4[2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C60H38N2S/c1-3-14-39(15-4-1)42-16-11-17-43(36-42)40-28-30-41(31-29-40)44-33-35-58-52(37-44)49-23-13-27-57(60(49)63-58)62-53-24-9-7-20-48(53)51-38-45(32-34-55(51)62)47-22-12-26-56-59(47)50-21-8-10-25-54(50)61(56)46-18-5-2-6-19-46/h1-38H/i1D,3D,7D,8D,9D,10D,12D,13D,14D,15D,16D,17D,20D,22D,23D,24D,25D,26D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D
• InChIKey: XRSFWPJGGINWSN-ZIZJUNMTSA-N
• XLogP: 16.92
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.22
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole?

The IUPAC name of 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole (CID 176854168) is 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole.

What is the SMILES notation for 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole?

The canonical SMILES for 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole is [2H]c1cc([2H])c(-c2c([2H])cc([2H])c(-c3c([2H])c([2H])c(-c4c([2H])c([2H])c5sc6c(-n7c8c([2H])c([2H])c(-c9c([2H])c([2H])c([2H])c%10c9c9cc([2H])c([2H])c([2H])c9n%10-c9ccccc9)cc8c8c([2H])c([2H])c([2H])c([2H])c87)cc([2H])c([2H])c6c5c4[2H])c([2H])c3[2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole?

The InChIKey is XRSFWPJGGINWSN-ZIZJUNMTSA-N. The full InChI is InChI=1S/C60H38N2S/c1-3-14-39(15-4-1)42-16-11-17-43(36-42)40-28-30-41(31-29-40)44-33-35-58-52(37-44)49-23-13-27-57(60(49)63-58)62-53-24-9-7-20-48(53)51-38-45(32-34-55(51)62)47-22-12-26-56-59(47)50-21-8-10-25-54(50)61(56)46-18-5-2-6-19-46/h1-38H/i1D,3D,7D,8D,9D,10D,12D,13D,14D,15D,16D,17D,20D,22D,23D,24D,25D,26D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D.

What are the key properties of 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole?

1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole has a molecular weight of 847.22 g/mol, XLogP of 16.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,7,8-hexadeuterio-6-(1,2,3,6,7,8-hexadeuterio-9-phenylcarbazol-4-yl)-9-[1,2,6,7,9-pentadeuterio-8-[2,3,5,6-tetradeuterio-4-[2,4,6-trideuterio-3-(2,3,4,6-tetradeuteriophenyl)phenyl]phenyl]dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 176854168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).