3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole

C67H43N5O2S — CID 24814813

IUPAC3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(-n8c9ccccc9c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc98)ccc76)ccc54)ccc32)cc1
InChIInChI=1S/C67H43N5O2S/c1-42-26-32-47(33-27-42)75(73,74)72-66-25-13-7-19-53(66)57-41-46(31-37-67(57)72)71-62-24-12-6-18-52(62)56-40-45(30-36-65(56)71)70-61-23-11-5-17-51(61)55-39-44(29-35-64(55)70)69-60-22-10-4-16-50(60)54-38-43(28-34-63(54)69)68-58-20-8-2-14-48(58)49-15-3-9-21-59(49)68/h2-41H,1H3
InChIKeyBYYAUVJQLOVEGO-UHFFFAOYSA-N
MW982.18 g/mol
LogP16.73
Rot. Bonds6

About 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole

3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole (PubChem CID 24814813) has the molecular formula C67H43N5O2S and a molecular weight of 982.18 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
PubChem CID24814813
Molecular FormulaC67H43N5O2S
Molecular Weight982.18 g/mol
Exact Mass981.31
IUPAC Name3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(-n8c9ccccc9c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc98)ccc76)ccc54)ccc32)cc1
InChIInChI=1S/C67H43N5O2S/c1-42-26-32-47(33-27-42)75(73,74)72-66-25-13-7-19-53(66)57-41-46(31-37-67(57)72)71-62-24-12-6-18-52(62)56-40-45(30-36-65(56)71)70-61-23-11-5-17-51(61)55-39-44(29-35-64(55)70)69-60-22-10-4-16-50(60)54-38-43(28-34-63(54)69)68-58-20-8-2-14-48(58)49-15-3-9-21-59(49)68/h2-41H,1H3
InChIKeyBYYAUVJQLOVEGO-UHFFFAOYSA-N
XLogP16.73
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.18
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-carbazol-9-yl-9-(4-methylphenyl)sulfonyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167052770
9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole
CID 88878835
5-[9-(benzenesulfonyl)-6-pyrido[4,3-b]indol-5-ylcarbazol-3-yl]pyrido[4,3-b]indole;methane
CID 159139937
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
2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine
CID 134237381
carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane
CID 175633031
9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
9-(3-carbazol-9-ylphenyl)-3-(2-methylcarbazol-9-yl)carbazole
CID 170201856
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
13,18-bis-(4-methylphenyl)sulfonyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene
CID 177415197
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole?
The IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole (CID 24814813) is 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole?
The canonical SMILES for 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole is Cc1ccc(S(=O)(=O)n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(-n8c9ccccc9c9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc98)ccc76)ccc54)ccc32)cc1.
What is the InChIKey of 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole?
The InChIKey is BYYAUVJQLOVEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N5O2S/c1-42-26-32-47(33-27-42)75(73,74)72-66-25-13-7-19-53(66)57-41-46(31-37-67(57)72)71-62-24-12-6-18-52(62)56-40-45(30-36-65(56)71)70-61-23-11-5-17-51(61)55-39-44(29-35-64(55)70)69-60-22-10-4-16-50(60)54-38-43(28-34-63(54)69)68-58-20-8-2-14-48(58)49-15-3-9-21-59(49)68/h2-41H,1H3.
What are the key properties of 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole?
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole has a molecular weight of 982.18 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole is sourced from PubChem (CID 24814813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).