3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole

C98H80N6 — CID 126723707

IUPAC3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole
SMILESCC(C)(C)Cc1cc(CC(C)(C)C)cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9ccccc9c9cc(C(C)(C)C)ccc98)ccc6n7-c6ccccc6)ccc54)ccc32)c1
InChIInChI=1S/C98H80N6/c1-96(2,3)59-61-49-62(60-97(4,5)6)51-71(50-61)104-94-47-40-67(100-84-30-18-13-25-72(84)73-26-14-19-31-85(73)100)55-82(94)83-58-69(41-48-95(83)104)102-87-33-21-16-28-75(87)78-53-64(36-43-90(78)102)63-35-42-89-77(52-63)74-27-15-20-32-86(74)101(89)68-38-45-92-80(56-68)81-57-70(39-46-93(81)99(92)66-23-11-10-12-24-66)103-88-34-22-17-29-76(88)79-54-65(98(7,8)9)37-44-91(79)103/h10-58H,59-60H2,1-9H3
InChIKeyAHODIMDJSQGKJR-UHFFFAOYSA-N
MW1341.76 g/mol
LogP26.41
Rot. Bonds9

About 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole

3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole (PubChem CID 126723707) has the molecular formula C98H80N6 and a molecular weight of 1341.76 g/mol. Its IUPAC name is 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole
PubChem CID126723707
Molecular FormulaC98H80N6
Molecular Weight1341.76 g/mol
Exact Mass1340.64
IUPAC Name3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole
SMILESCC(C)(C)Cc1cc(CC(C)(C)C)cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9ccccc9c9cc(C(C)(C)C)ccc98)ccc6n7-c6ccccc6)ccc54)ccc32)c1
InChIInChI=1S/C98H80N6/c1-96(2,3)59-61-49-62(60-97(4,5)6)51-71(50-61)104-94-47-40-67(100-84-30-18-13-25-72(84)73-26-14-19-31-85(73)100)55-82(94)83-58-69(41-48-95(83)104)102-87-33-21-16-28-75(87)78-53-64(36-43-90(78)102)63-35-42-89-77(52-63)74-27-15-20-32-86(74)101(89)68-38-45-92-80(56-68)81-57-70(39-46-93(81)99(92)66-23-11-10-12-24-66)103-88-34-22-17-29-76(88)79-54-65(98(7,8)9)37-44-91(79)103/h10-58H,59-60H2,1-9H3
InChIKeyAHODIMDJSQGKJR-UHFFFAOYSA-N
XLogP26.41
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001341.76
LogP ≤ 526.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole with MolForge

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Related Compounds

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-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3-(9-phenylcarbazol-3-yl)-9-[4-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazole
CID 176617175
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203
9-tert-butylcarbazole;9-tert-butyl-3-carbazol-9-ylcarbazole;3-(9-tert-butylcarbazol-3-yl)-9-phenylcarbazole;9-tert-butyl-3,6-di(carbazol-9-yl)carbazole
CID 164959111
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole?
The IUPAC name of 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole (CID 126723707) is 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole is CC(C)(C)Cc1cc(CC(C)(C)C)cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9ccccc9c9cc(C(C)(C)C)ccc98)ccc6n7-c6ccccc6)ccc54)ccc32)c1.
What is the InChIKey of 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole?
The InChIKey is AHODIMDJSQGKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H80N6/c1-96(2,3)59-61-49-62(60-97(4,5)6)51-71(50-61)104-94-47-40-67(100-84-30-18-13-25-72(84)73-26-14-19-31-85(73)100)55-82(94)83-58-69(41-48-95(83)104)102-87-33-21-16-28-75(87)78-53-64(36-43-90(78)102)63-35-42-89-77(52-63)74-27-15-20-32-86(74)101(89)68-38-45-92-80(56-68)81-57-70(39-46-93(81)99(92)66-23-11-10-12-24-66)103-88-34-22-17-29-76(88)79-54-65(98(7,8)9)37-44-91(79)103/h10-58H,59-60H2,1-9H3.
What are the key properties of 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole?
3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole has a molecular weight of 1341.76 g/mol, XLogP of 26.41, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 126723707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).