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

C48H30N2S — CID 170517861

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

2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole (PubChem CID 170517861) has the molecular formula C48H30N2S and a molecular weight of 675.90 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole
• PubChem CID: 170517861
• Molecular Formula: C48H30N2S
• Molecular Weight: 675.90 g/mol
• Exact Mass: 675.27
• IUPAC Name: 2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3ccc4sc5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5c4c3)c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-27-46-40(29-34)48-44(22-11-23-47(48)51-46)50-43-21-9-6-18-38(43)39-26-25-35(30-45(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H/i1D,2D,3D,10D,12D,13D,14D,15D,28D
• InChIKey: IXFTYANDBAZDPW-DLCIFBBESA-N
• XLogP: 13.58
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.90
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole (CID 170517861) is 2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole.

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

The canonical SMILES for 2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c(-c3ccc4sc5cccc(-n6c7ccccc7c7ccc(-n8c9ccccc9c9ccccc98)cc76)c5c4c3)c2[2H])c([2H])c1[2H].

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

The InChIKey is IXFTYANDBAZDPW-DLCIFBBESA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-27-46-40(29-34)48-44(22-11-23-47(48)51-46)50-43-21-9-6-18-38(43)39-26-25-35(30-45(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H/i1D,2D,3D,10D,12D,13D,14D,15D,28D.

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

2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole has a molecular weight of 675.90 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-9-[8-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-yl]carbazole is sourced from PubChem (CID 170517861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).