4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile

C97H60N6 — CID 139507138

IUPAC4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C97H60N6/c98-61-81-94(100-84-44-22-15-37-72(84)77-57-66(49-53-89(77)100)62-27-5-1-6-28-62)96(102-86-46-24-17-39-74(86)79-59-68(51-55-91(79)102)64-31-9-3-10-32-64)93(76-41-19-26-48-88(76)99-82-42-20-13-35-70(82)71-36-14-21-43-83(71)99)97(103-87-47-25-18-40-75(87)80-60-69(52-56-92(80)103)65-33-11-4-12-34-65)95(81)101-85-45-23-16-38-73(85)78-58-67(50-54-90(78)101)63-29-7-2-8-30-63/h1-60H
InChIKeyYIQVYYHZLNGACJ-UHFFFAOYSA-N
MW1309.59 g/mol
LogP25.38
Rot. Bonds10

About 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile

4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile (PubChem CID 139507138) has the molecular formula C97H60N6 and a molecular weight of 1309.59 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
PubChem CID139507138
Molecular FormulaC97H60N6
Molecular Weight1309.59 g/mol
Exact Mass1308.49
IUPAC Name4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C97H60N6/c98-61-81-94(100-84-44-22-15-37-72(84)77-57-66(49-53-89(77)100)62-27-5-1-6-28-62)96(102-86-46-24-17-39-74(86)79-59-68(51-55-91(79)102)64-31-9-3-10-32-64)93(76-41-19-26-48-88(76)99-82-42-20-13-35-70(82)71-36-14-21-43-83(71)99)97(103-87-47-25-18-40-75(87)80-60-69(52-56-92(80)103)65-33-11-4-12-34-65)95(81)101-85-45-23-16-38-73(85)78-58-67(50-54-90(78)101)63-29-7-2-8-30-63/h1-60H
InChIKeyYIQVYYHZLNGACJ-UHFFFAOYSA-N
XLogP25.38
TPSA48.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001309.59
LogP ≤ 525.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
2,3,5-tri(carbazol-9-yl)-6-(2,7-diphenylcarbazol-9-yl)-4-phenylbenzonitrile
CID 167015423
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-spiro[[1]benzosilolo[2,3-c]pyridine-9,5'-benzo[b][1]benzosilole]-3-ylbenzonitrile
CID 153434991
4-dibenzothiophen-1-yl-2,3,5,6-tetrakis(2-phenylcarbazol-9-yl)benzonitrile
CID 139368530
methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 157460993

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile (CID 139507138) is 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile is N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile?
The InChIKey is YIQVYYHZLNGACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H60N6/c98-61-81-94(100-84-44-22-15-37-72(84)77-57-66(49-53-89(77)100)62-27-5-1-6-28-62)96(102-86-46-24-17-39-74(86)79-59-68(51-55-91(79)102)64-31-9-3-10-32-64)93(76-41-19-26-48-88(76)99-82-42-20-13-35-70(82)71-36-14-21-43-83(71)99)97(103-87-47-25-18-40-75(87)80-60-69(52-56-92(80)103)65-33-11-4-12-34-65)95(81)101-85-45-23-16-38-73(85)78-58-67(50-54-90(78)101)63-29-7-2-8-30-63/h1-60H.
What are the key properties of 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile?
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile has a molecular weight of 1309.59 g/mol, XLogP of 25.38, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 139507138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).