4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile

C97H58N8 — CID 155138269

IUPAC4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C97H58N8/c98-59-60-49-51-61(52-50-60)92-93(101-82-41-17-5-29-68(82)69-30-6-18-42-83(69)101)95(104-88-47-23-11-35-74(88)76-57-62(53-55-90(76)104)99-78-37-13-1-25-64(78)65-26-2-14-38-79(65)99)97(103-86-45-21-9-33-72(86)73-34-10-22-46-87(73)103)96(94(92)102-84-43-19-7-31-70(84)71-32-8-20-44-85(71)102)105-89-48-24-12-36-75(89)77-58-63(54-56-91(77)105)100-80-39-15-3-27-66(80)67-28-4-16-40-81(67)100/h1-58H
InChIKeyZAXFYFYSPUVUID-UHFFFAOYSA-N
MW1335.59 g/mol
LogP24.90
Rot. Bonds8

About 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile

4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile (PubChem CID 155138269) has the molecular formula C97H58N8 and a molecular weight of 1335.59 g/mol. Its IUPAC name is 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
PubChem CID155138269
Molecular FormulaC97H58N8
Molecular Weight1335.59 g/mol
Exact Mass1334.48
IUPAC Name4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C97H58N8/c98-59-60-49-51-61(52-50-60)92-93(101-82-41-17-5-29-68(82)69-30-6-18-42-83(69)101)95(104-88-47-23-11-35-74(88)76-57-62(53-55-90(76)104)99-78-37-13-1-25-64(78)65-26-2-14-38-79(65)99)97(103-86-45-21-9-33-72(86)73-34-10-22-46-87(73)103)96(94(92)102-84-43-19-7-31-70(84)71-32-8-20-44-85(71)102)105-89-48-24-12-36-75(89)77-58-63(54-56-91(77)105)100-80-39-15-3-27-66(80)67-28-4-16-40-81(67)100/h1-58H
InChIKeyZAXFYFYSPUVUID-UHFFFAOYSA-N
XLogP24.90
TPSA58.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.59
LogP ≤ 524.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 155138603
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
4-[2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(4-cyanophenyl)phenyl]benzonitrile
CID 168845296
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
4,6-di(carbazol-9-yl)-2-(4-cyanophenyl)-5-(9-phenylcarbazol-3-yl)benzene-1,3-dicarbonitrile
CID 146562295
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
4-[5-(4-cyanophenyl)-2,4-bis[2,7-di(carbazol-9-yl)carbazol-9-yl]-3-phenylphenyl]benzonitrile
CID 151871982
5-[4-cyano-2,6-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538809
4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile
CID 134414868
5-[2,4,6-tri(carbazol-9-yl)-3,5-diphenylphenyl]benzene-1,3-dicarbonitrile
CID 135135988
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173

Frequently Asked Questions

What is the IUPAC name of 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile (CID 155138269) is 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile is N#Cc1ccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is ZAXFYFYSPUVUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H58N8/c98-59-60-49-51-61(52-50-60)92-93(101-82-41-17-5-29-68(82)69-30-6-18-42-83(69)101)95(104-88-47-23-11-35-74(88)76-57-62(53-55-90(76)104)99-78-37-13-1-25-64(78)65-26-2-14-38-79(65)99)97(103-86-45-21-9-33-72(86)73-34-10-22-46-87(73)103)96(94(92)102-84-43-19-7-31-70(84)71-32-8-20-44-85(71)102)105-89-48-24-12-36-75(89)77-58-63(54-56-91(77)105)100-80-39-15-3-27-66(80)67-28-4-16-40-81(67)100/h1-58H.
What are the key properties of 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile?
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 1335.59 g/mol, XLogP of 24.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 155138269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).