9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole

C84H54N4O2S — CID 118033411

About 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole

9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole (PubChem CID 118033411) has the molecular formula C84H54N4O2S and a molecular weight of 1183.45 g/mol. Its IUPAC name is 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
• PubChem CID: 118033411
• Molecular Formula: C84H54N4O2S
• Molecular Weight: 1183.45 g/mol
• Exact Mass: 1182.40
• IUPAC Name: 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
• SMILES: O=S(=O)(c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc32)cc1
• InChI: InChI=1S/C84H54N4O2S/c89-91(90,67-39-33-63(34-40-67)85-77-27-15-13-25-69(77)75-53-65(37-47-83(75)85)87-79-43-29-59(55-17-5-1-6-18-55)49-71(79)72-50-60(30-44-80(72)87)56-19-7-2-8-20-56)68-41-35-64(36-42-68)86-78-28-16-14-26-70(78)76-54-66(38-48-84(76)86)88-81-45-31-61(57-21-9-3-10-22-57)51-73(81)74-52-62(32-46-82(74)88)58-23-11-4-12-24-58/h1-54H
• InChIKey: MXXFLRHRFUXCIQ-UHFFFAOYSA-N
• XLogP: 21.58
• TPSA: 53.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1183.45
LogP ≤ 5	21.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole?

The IUPAC name of 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole (CID 118033411) is 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole.

What is the SMILES notation for 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole?

The canonical SMILES for 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole is O=S(=O)(c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc32)cc1.

What is the InChIKey of 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole?

The InChIKey is MXXFLRHRFUXCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N4O2S/c89-91(90,67-39-33-63(34-40-67)85-77-27-15-13-25-69(77)75-53-65(37-47-83(75)85)87-79-43-29-59(55-17-5-1-6-18-55)49-71(79)72-50-60(30-44-80(72)87)56-19-7-2-8-20-56)68-41-35-64(36-42-68)86-78-28-16-14-26-70(78)76-54-66(38-48-84(76)86)88-81-45-31-61(57-21-9-3-10-22-57)51-73(81)74-52-62(32-46-82(74)88)58-23-11-4-12-24-58/h1-54H.

What are the key properties of 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole?

9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole has a molecular weight of 1183.45 g/mol, XLogP of 21.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 118033411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).