2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide

C72H44N4O4S2 — CID 167284800

About 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide

2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide (PubChem CID 167284800) has the molecular formula C72H44N4O4S2 and a molecular weight of 1093.30 g/mol. Its IUPAC name is 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide
• PubChem CID: 167284800
• Molecular Formula: C72H44N4O4S2
• Molecular Weight: 1093.30 g/mol
• Exact Mass: 1092.28
• IUPAC Name: 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide
• SMILES: O=S(=O)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4cc(-n6c7ccccc7c7ccccc76)ccc4S5(=O)=O)ccc32)cc1
• InChI: InChI=1S/C72H44N4O4S2/c77-81(78,51-33-27-47(28-34-51)73-63-19-7-1-13-53(63)54-14-2-8-20-64(54)73)52-35-29-48(30-36-52)74-67-23-11-5-17-57(67)59-41-45(25-37-69(59)74)46-26-38-70-60(42-46)58-18-6-12-24-68(58)76(70)50-32-40-72-62(44-50)61-43-49(31-39-71(61)82(72,79)80)75-65-21-9-3-15-55(65)56-16-4-10-22-66(56)75/h1-44H
• InChIKey: KMFVTOHMPXZVTA-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 88.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.30
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide?

The IUPAC name of 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide (CID 167284800) is 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide.

What is the SMILES notation for 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide?

The canonical SMILES for 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide is O=S(=O)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4cc(-n6c7ccccc7c7ccccc76)ccc4S5(=O)=O)ccc32)cc1.

What is the InChIKey of 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide?

The InChIKey is KMFVTOHMPXZVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N4O4S2/c77-81(78,51-33-27-47(28-34-51)73-63-19-7-1-13-53(63)54-14-2-8-20-64(54)73)52-35-29-48(30-36-52)74-67-23-11-5-17-57(67)59-41-45(25-37-69(59)74)46-26-38-70-60(42-46)58-18-6-12-24-68(58)76(70)50-32-40-72-62(44-50)61-43-49(31-39-71(61)82(72,79)80)75-65-21-9-3-15-55(65)56-16-4-10-22-66(56)75/h1-44H.

What are the key properties of 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide?

2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide has a molecular weight of 1093.30 g/mol, XLogP of 17.39, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 167284800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).