9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole

C66H43N3O2S — CID 88878835

IUPAC9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc21
InChIInChI=1S/C66H43N3O2S/c70-72(71,54-24-14-5-15-25-54)69-65-36-30-52(67-61-32-26-48(44-16-6-1-7-17-44)38-55(61)56-39-49(27-33-62(56)67)45-18-8-2-9-19-45)42-59(65)60-43-53(31-37-66(60)69)68-63-34-28-50(46-20-10-3-11-21-46)40-57(63)58-41-51(29-35-64(58)68)47-22-12-4-13-23-47/h1-43H
InChIKeyGGVHLWIGXJABQT-UHFFFAOYSA-N
MW942.16 g/mol
LogP16.89
Rot. Bonds8

About 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole

9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole (PubChem CID 88878835) has the molecular formula C66H43N3O2S and a molecular weight of 942.16 g/mol. Its IUPAC name is 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole
PubChem CID88878835
Molecular FormulaC66H43N3O2S
Molecular Weight942.16 g/mol
Exact Mass941.31
IUPAC Name9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole
SMILESO=S(=O)(c1ccccc1)n1c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc21
InChIInChI=1S/C66H43N3O2S/c70-72(71,54-24-14-5-15-25-54)69-65-36-30-52(67-61-32-26-48(44-16-6-1-7-17-44)38-55(61)56-39-49(27-33-62(56)67)45-18-8-2-9-19-45)42-59(65)60-43-53(31-37-66(60)69)68-63-34-28-50(46-20-10-3-11-21-46)40-57(63)58-41-51(29-35-64(58)68)47-22-12-4-13-23-47/h1-43H
InChIKeyGGVHLWIGXJABQT-UHFFFAOYSA-N
XLogP16.89
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.16
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
9-(benzenesulfonyl)-3-(2-phenylcarbazol-9-yl)-6-(7-phenyl-1,2-dihydrocarbazol-9-yl)carbazole
CID 70661565
9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
5-[9-(benzenesulfonyl)-6-pyrido[4,3-b]indol-5-ylcarbazol-3-yl]pyrido[4,3-b]indole;methane
CID 159139937
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-[9-[4-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3-(3-methylcarbazol-9-yl)-6-phenylcarbazole
CID 121444321
2-(3,6-diphenylcarbazol-9-yl)-9-[4-[2-(3,6-diphenylcarbazol-9-yl)-6-phenylcarbazol-9-yl]phenyl]-6-phenylcarbazole
CID 176786489
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351

Frequently Asked Questions

What is the IUPAC name of 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole (CID 88878835) is 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole is O=S(=O)(c1ccccc1)n1c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc2c2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc21.
What is the InChIKey of 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole?
The InChIKey is GGVHLWIGXJABQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3O2S/c70-72(71,54-24-14-5-15-25-54)69-65-36-30-52(67-61-32-26-48(44-16-6-1-7-17-44)38-55(61)56-39-49(27-33-62(56)67)45-18-8-2-9-19-45)42-59(65)60-43-53(31-37-66(60)69)68-63-34-28-50(46-20-10-3-11-21-46)40-57(63)58-41-51(29-35-64(58)68)47-22-12-4-13-23-47/h1-43H.
What are the key properties of 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole?
9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole has a molecular weight of 942.16 g/mol, XLogP of 16.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 88878835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).