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

C91H58N6O2S — CID 121444321

IUPAC9-[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
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cc2)cc1
InChIInChI=1S/C91H58N6O2S/c1-57-31-45-86-74(51-57)70-21-7-15-29-84(70)95(86)65-40-50-91-79(56-65)75-52-59(58-17-3-2-4-18-58)32-46-87(75)97(91)64-38-48-89-77(55-64)72-23-9-14-28-83(72)93(89)61-35-43-67(44-36-61)100(98,99)66-41-33-60(34-42-66)92-82-27-13-8-22-71(82)76-54-63(37-47-88(76)92)96-85-30-16-10-24-73(85)78-53-62(39-49-90(78)96)94-80-25-11-5-19-68(80)69-20-6-12-26-81(69)94/h2-56H,1H3
InChIKeyDBQUVKZCCUDDFF-UHFFFAOYSA-N
MW1299.57 g/mol
LogP23.08
Rot. Bonds9

About 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

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 (PubChem CID 121444321) has the molecular formula C91H58N6O2S and a molecular weight of 1299.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID121444321
Molecular FormulaC91H58N6O2S
Molecular Weight1299.57 g/mol
Exact Mass1298.43
IUPAC Name9-[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
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cc2)cc1
InChIInChI=1S/C91H58N6O2S/c1-57-31-45-86-74(51-57)70-21-7-15-29-84(70)95(86)65-40-50-91-79(56-65)75-52-59(58-17-3-2-4-18-58)32-46-87(75)97(91)64-38-48-89-77(55-64)72-23-9-14-28-83(72)93(89)61-35-43-67(44-36-61)100(98,99)66-41-33-60(34-42-66)92-82-27-13-8-22-71(82)76-54-63(37-47-88(76)92)96-85-30-16-10-24-73(85)78-53-62(39-49-90(78)96)94-80-25-11-5-19-68(80)69-20-6-12-26-81(69)94/h2-56H,1H3
InChIKeyDBQUVKZCCUDDFF-UHFFFAOYSA-N
XLogP23.08
TPSA63.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.57
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
3,6-ditert-butyl-9-[9-[4-[4-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazole;9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 159940883
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole
CID 161262026
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DBQUVKZCCUDDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H58N6O2S/c1-57-31-45-86-74(51-57)70-21-7-15-29-84(70)95(86)65-40-50-91-79(56-65)75-52-59(58-17-3-2-4-18-58)32-46-87(75)97(91)64-38-48-89-77(55-64)72-23-9-14-28-83(72)93(89)61-35-43-67(44-36-61)100(98,99)66-41-33-60(34-42-66)92-82-27-13-8-22-71(82)76-54-63(37-47-88(76)92)96-85-30-16-10-24-73(85)78-53-62(39-49-90(78)96)94-80-25-11-5-19-68(80)69-20-6-12-26-81(69)94/h2-56H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1299.57 g/mol, XLogP of 23.08, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121444321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).