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

C80H50N6 — CID 163897898

IUPAC2,5-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
SMILESN#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(-c2ccccc2)c1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)C=CCC3)ccc21
InChIInChI=1S/C80H50N6/c81-49-67-77(51-21-5-1-6-22-51)68(50-82)80(86-72-36-20-16-32-62(72)66-48-56(40-44-76(66)86)54-38-42-74-64(46-54)60-30-14-18-34-70(60)84(74)58-27-11-4-12-28-58)78(52-23-7-2-8-24-52)79(67)85-71-35-19-15-31-61(71)65-47-55(39-43-75(65)85)53-37-41-73-63(45-53)59-29-13-17-33-69(59)83(73)57-25-9-3-10-26-57/h1-13,15-29,31-48H,14,30H2
InChIKeyQHGRDRVRSNMXLK-UHFFFAOYSA-N
MW1095.32 g/mol
LogP20.29
Rot. Bonds8

About 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

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 (PubChem CID 163897898) has the molecular formula C80H50N6 and a molecular weight of 1095.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID163897898
Molecular FormulaC80H50N6
Molecular Weight1095.32 g/mol
Exact Mass1094.41
IUPAC Name2,5-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
SMILESN#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(-c2ccccc2)c1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)C=CCC3)ccc21
InChIInChI=1S/C80H50N6/c81-49-67-77(51-21-5-1-6-22-51)68(50-82)80(86-72-36-20-16-32-62(72)66-48-56(40-44-76(66)86)54-38-42-74-64(46-54)60-30-14-18-34-70(60)84(74)58-27-11-4-12-28-58)78(52-23-7-2-8-24-52)79(67)85-71-35-19-15-31-61(71)65-47-55(39-43-75(65)85)53-37-41-73-63(45-53)59-29-13-17-33-69(59)83(73)57-25-9-3-10-26-57/h1-13,15-29,31-48H,14,30H2
InChIKeyQHGRDRVRSNMXLK-UHFFFAOYSA-N
XLogP20.29
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.32
LogP ≤ 520.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
3-amino-2,4-di(carbazol-9-yl)-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzonitrile
CID 166727182
4,6-di(carbazol-9-yl)-2-(4-cyanophenyl)-5-(9-phenylcarbazol-3-yl)benzene-1,3-dicarbonitrile
CID 146562295
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
CID 166727336
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole
CID 88530896
2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 155417171
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
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c(-c2ccccc2)c(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c(-c2ccccc2)c1-n1c2ccccc2c2cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)C=CCC3)ccc21.
What is the InChIKey of 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?
The InChIKey is QHGRDRVRSNMXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N6/c81-49-67-77(51-21-5-1-6-22-51)68(50-82)80(86-72-36-20-16-32-62(72)66-48-56(40-44-76(66)86)54-38-42-74-64(46-54)60-30-14-18-34-70(60)84(74)58-27-11-4-12-28-58)78(52-23-7-2-8-24-52)79(67)85-71-35-19-15-31-61(71)65-47-55(39-43-75(65)85)53-37-41-73-63(45-53)59-29-13-17-33-69(59)83(73)57-25-9-3-10-26-57/h1-13,15-29,31-48H,14,30H2.
What are the key properties of 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?
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 has a molecular weight of 1095.32 g/mol, XLogP of 20.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163897898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).