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

C244H176N14O6S3 — CID 159940883

IUPAC3,6-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)cc2)cc1.O=S(=O)(c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.O=S(=O)(c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc32)cc1
InChIInChI=1S/C84H52N6O2S.C84H54N4O2S.C76H70N4O2S/c91-93(92,59-41-33-53(34-42-59)85-81-45-37-55(87-73-25-9-1-17-61(73)62-18-2-10-26-74(62)87)49-69(81)70-50-56(38-46-82(70)85)88-75-27-11-3-19-63(75)64-20-4-12-28-76(64)88)60-43-35-54(36-44-60)86-83-47-39-57(89-77-29-13-5-21-65(77)66-22-6-14-30-78(66)89)51-71(83)72-52-58(40-48-84(72)86)90-79-31-15-7-23-67(79)68-24-8-16-32-80(68)90;89-91(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;1-73(2,3)47-21-35-67-59(41-47)60-42-48(74(4,5)6)22-36-68(60)79(67)53-29-39-71-63(45-53)57-17-13-15-19-65(57)77(71)51-25-31-55(32-26-51)83(81,82)56-33-27-52(28-34-56)78-66-20-16-14-18-58(66)64-46-54(30-40-72(64)78)80-69-37-23-49(75(7,8)9)43-61(69)62-44-50(76(10,11)12)24-38-70(62)80/h1-52H;1-54H;13-46H,1-12H3
InChIKeyOAWBAYBUKPRBJS-UHFFFAOYSA-N
MW3496.38 g/mol
LogP62.78
Rot. Bonds24

About 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

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 (PubChem CID 159940883) has the molecular formula C244H176N14O6S3 and a molecular weight of 3496.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,6-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
PubChem CID159940883
Molecular FormulaC244H176N14O6S3
Molecular Weight3496.38 g/mol
Exact Mass3493.31
IUPAC Name3,6-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
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)cc2)cc1.O=S(=O)(c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.O=S(=O)(c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc32)cc1)c1ccc(-n2c3ccccc3c3cc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)ccc32)cc1
InChIInChI=1S/C84H52N6O2S.C84H54N4O2S.C76H70N4O2S/c91-93(92,59-41-33-53(34-42-59)85-81-45-37-55(87-73-25-9-1-17-61(73)62-18-2-10-26-74(62)87)49-69(81)70-50-56(38-46-82(70)85)88-75-27-11-3-19-63(75)64-20-4-12-28-76(64)88)60-43-35-54(36-44-60)86-83-47-39-57(89-77-29-13-5-21-65(77)66-22-6-14-30-78(66)89)51-71(83)72-52-58(40-48-84(72)86)90-79-31-15-7-23-67(79)68-24-8-16-32-80(68)90;89-91(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;1-73(2,3)47-21-35-67-59(41-47)60-42-48(74(4,5)6)22-36-68(60)79(67)53-29-39-71-63(45-53)57-17-13-15-19-65(57)77(71)51-25-31-55(32-26-51)83(81,82)56-33-27-52(28-34-56)78-66-20-16-14-18-58(66)64-46-54(30-40-72(64)78)80-69-37-23-49(75(7,8)9)43-61(69)62-44-50(76(10,11)12)24-38-70(62)80/h1-52H;1-54H;13-46H,1-12H3
InChIKeyOAWBAYBUKPRBJS-UHFFFAOYSA-N
XLogP62.78
TPSA171.44 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003496.38
LogP ≤ 562.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 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

9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
3,6-ditert-butyl-9-[9-[4-[4-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]carbazole
CID 118033417
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]sulfonylphenyl]-N-(4-tert-butylphenyl)aniline;3-carbazol-9-yl-9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole;9-[4-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]sulfonylphenyl]-3,6-dimethoxycarbazole;3-phenyl-9-[4-[4-(3-phenylcarbazol-9-yl)phenyl]sulfonylphenyl]carbazole
CID 158938394
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
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
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
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(S(=O)(=O)c2ccc(-n3c4ccccc4c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc43)cc2)cc1.O=S(=O)(c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1)c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.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 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?
The InChIKey is OAWBAYBUKPRBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52N6O2S.C84H54N4O2S.C76H70N4O2S/c91-93(92,59-41-33-53(34-42-59)85-81-45-37-55(87-73-25-9-1-17-61(73)62-18-2-10-26-74(62)87)49-69(81)70-50-56(38-46-82(70)85)88-75-27-11-3-19-63(75)64-20-4-12-28-76(64)88)60-43-35-54(36-44-60)86-83-47-39-57(89-77-29-13-5-21-65(77)66-22-6-14-30-78(66)89)51-71(83)72-52-58(40-48-84(72)86)90-79-31-15-7-23-67(79)68-24-8-16-32-80(68)90;89-91(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;1-73(2,3)47-21-35-67-59(41-47)60-42-48(74(4,5)6)22-36-68(60)79(67)53-29-39-71-63(45-53)57-17-13-15-19-65(57)77(71)51-25-31-55(32-26-51)83(81,82)56-33-27-52(28-34-56)78-66-20-16-14-18-58(66)64-46-54(30-40-72(64)78)80-69-37-23-49(75(7,8)9)43-61(69)62-44-50(76(10,11)12)24-38-70(62)80/h1-52H;1-54H;13-46H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 3496.38 g/mol, XLogP of 62.78, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159940883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).