3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile

C93H59N7 — CID 158410931

IUPAC3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc(-c3ccc(C#N)cc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c(C)c1
InChIInChI=1S/C93H59N7/c1-57-35-42-65(58(2)49-57)60-37-44-75(93(51-60)100-90-47-40-63(97-84-31-15-7-23-70(84)71-24-8-16-32-85(71)97)54-78(90)79-55-64(41-48-91(79)100)98-86-33-17-9-25-72(86)73-26-10-18-34-87(73)98)74-43-36-59(56-94)50-92(74)99-88-45-38-61(95-80-27-11-3-19-66(80)67-20-4-12-28-81(67)95)52-76(88)77-53-62(39-46-89(77)99)96-82-29-13-5-21-68(82)69-22-6-14-30-83(69)96/h3-55H,1-2H3
InChIKeyAYCWDOPXBVITJT-UHFFFAOYSA-N
MW1274.54 g/mol
LogP24.09
Rot. Bonds8

About 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile

3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile (PubChem CID 158410931) has the molecular formula C93H59N7 and a molecular weight of 1274.54 g/mol. Its IUPAC name is 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile
PubChem CID158410931
Molecular FormulaC93H59N7
Molecular Weight1274.54 g/mol
Exact Mass1273.48
IUPAC Name3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile
SMILESCc1ccc(-c2ccc(-c3ccc(C#N)cc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c(C)c1
InChIInChI=1S/C93H59N7/c1-57-35-42-65(58(2)49-57)60-37-44-75(93(51-60)100-90-47-40-63(97-84-31-15-7-23-70(84)71-24-8-16-32-85(71)97)54-78(90)79-55-64(41-48-91(79)100)98-86-33-17-9-25-72(86)73-26-10-18-34-87(73)98)74-43-36-59(56-94)50-92(74)99-88-45-38-61(95-80-27-11-3-19-66(80)67-20-4-12-28-81(67)95)52-76(88)77-53-62(39-46-89(77)99)96-82-29-13-5-21-68(82)69-22-6-14-30-83(69)96/h3-55H,1-2H3
InChIKeyAYCWDOPXBVITJT-UHFFFAOYSA-N
XLogP24.09
TPSA53.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001274.54
LogP ≤ 524.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]-3-methylbenzonitrile
CID 162088323
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2-isocyano-4-methylphenyl)phenyl]benzonitrile
CID 157073153
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 158234834
4-(4-cyano-2-methylphenyl)-3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 142414150
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 142533865
4-[3-[4-cyano-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 162088321
3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499504
3,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]benzonitrile
CID 130353563
4-[3-[4-cyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile
CID 161491172
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292

Frequently Asked Questions

What is the IUPAC name of 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile?
The IUPAC name of 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile (CID 158410931) is 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile?
The canonical SMILES for 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile is Cc1ccc(-c2ccc(-c3ccc(C#N)cc3-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c(C)c1.
What is the InChIKey of 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile?
The InChIKey is AYCWDOPXBVITJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H59N7/c1-57-35-42-65(58(2)49-57)60-37-44-75(93(51-60)100-90-47-40-63(97-84-31-15-7-23-70(84)71-24-8-16-32-85(71)97)54-78(90)79-55-64(41-48-91(79)100)98-86-33-17-9-25-72(86)73-26-10-18-34-87(73)98)74-43-36-59(56-94)50-92(74)99-88-45-38-61(95-80-27-11-3-19-66(80)67-20-4-12-28-81(67)95)52-76(88)77-53-62(39-46-89(77)99)96-82-29-13-5-21-68(82)69-22-6-14-30-83(69)96/h3-55H,1-2H3.
What are the key properties of 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile?
3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile has a molecular weight of 1274.54 g/mol, XLogP of 24.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,4-dimethylphenyl)phenyl]benzonitrile is sourced from PubChem (CID 158410931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).