2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile

C79H55N5 — CID 163919039

IUPAC2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3c(c4c2C=CCC4)CCC=C3)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-n2c3c(c4cc(-c5ccccc5)ccc42)CC(c2ccccc2)C=C3)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C79H55N5/c80-50-67-78(83-68-33-17-13-29-59(68)60-30-14-18-34-69(60)83)76(81-72-41-37-55(51-21-5-1-6-22-51)45-63(72)64-46-56(38-42-73(64)81)52-23-7-2-8-24-52)49-77(79(67)84-70-35-19-15-31-61(70)62-32-16-20-36-71(62)84)82-74-43-39-57(53-25-9-3-10-26-53)47-65(74)66-48-58(40-44-75(66)82)54-27-11-4-12-28-54/h1-14,17-30,33-45,47-49,56H,15-16,31-32,46H2
InChIKeyQYUUSZIZDYWGMF-UHFFFAOYSA-N
MW1074.34 g/mol
LogP19.76
Rot. Bonds8

About 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile

2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile (PubChem CID 163919039) has the molecular formula C79H55N5 and a molecular weight of 1074.34 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile
PubChem CID163919039
Molecular FormulaC79H55N5
Molecular Weight1074.34 g/mol
Exact Mass1073.45
IUPAC Name2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3c(c4c2C=CCC4)CCC=C3)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-n2c3c(c4cc(-c5ccccc5)ccc42)CC(c2ccccc2)C=C3)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C79H55N5/c80-50-67-78(83-68-33-17-13-29-59(68)60-30-14-18-34-69(60)83)76(81-72-41-37-55(51-21-5-1-6-22-51)45-63(72)64-46-56(38-42-73(64)81)52-23-7-2-8-24-52)49-77(79(67)84-70-35-19-15-31-61(70)62-32-16-20-36-71(62)84)82-74-43-39-57(53-25-9-3-10-26-53)47-65(74)66-48-58(40-44-75(66)82)54-27-11-4-12-28-54/h1-14,17-30,33-45,47-49,56H,15-16,31-32,46H2
InChIKeyQYUUSZIZDYWGMF-UHFFFAOYSA-N
XLogP19.76
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.34
LogP ≤ 519.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile with MolForge

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Related Compounds

4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile
CID 166874656
2,5-diphenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(9-phenyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 163897898
4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146580320
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 168845283
3-amino-2,4-di(carbazol-9-yl)-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzonitrile
CID 166727182
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
CID 166727336
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
9-[3-[6-[3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)phenyl]-1,8-diphenylphenanthren-3-yl]phenyl]-3,6-diphenylcarbazole
CID 89046059
2,6-di(carbazol-9-yl)-3,5-bis(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzonitrile
CID 155178332
1,3-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-2-carbonitrile
CID 155131662

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile?
The IUPAC name of 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile (CID 163919039) is 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile is N#Cc1c(-n2c3c(c4c2C=CCC4)CCC=C3)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-n2c3c(c4cc(-c5ccccc5)ccc42)CC(c2ccccc2)C=C3)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile?
The InChIKey is QYUUSZIZDYWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H55N5/c80-50-67-78(83-68-33-17-13-29-59(68)60-30-14-18-34-69(60)83)76(81-72-41-37-55(51-21-5-1-6-22-51)45-63(72)64-46-56(38-42-73(64)81)52-23-7-2-8-24-52)49-77(79(67)84-70-35-19-15-31-61(70)62-32-16-20-36-71(62)84)82-74-43-39-57(53-25-9-3-10-26-53)47-65(74)66-48-58(40-44-75(66)82)54-27-11-4-12-28-54/h1-14,17-30,33-45,47-49,56H,15-16,31-32,46H2.
What are the key properties of 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile?
2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile has a molecular weight of 1074.34 g/mol, XLogP of 19.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile is sourced from PubChem (CID 163919039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).