4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile

C60H36N6 — CID 134292574

IUPAC4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1ccncc1
InChIInChI=1S/C60H36N6/c61-37-39-33-59(65-55-23-11-5-17-46(55)49-34-40(25-27-57(49)65)63-51-19-7-1-13-42(51)43-14-2-8-20-52(43)63)60(36-48(39)38-29-31-62-32-30-38)66-56-24-12-6-18-47(56)50-35-41(26-28-58(50)66)64-53-21-9-3-15-44(53)45-16-4-10-22-54(45)64/h1-36H
InChIKeyDMGUDLXCMXMGIM-UHFFFAOYSA-N
MW840.99 g/mol
LogP15.01
Rot. Bonds5

About 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile

4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile (PubChem CID 134292574) has the molecular formula C60H36N6 and a molecular weight of 840.99 g/mol. Its IUPAC name is 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
PubChem CID134292574
Molecular FormulaC60H36N6
Molecular Weight840.99 g/mol
Exact Mass840.30
IUPAC Name4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1ccncc1
InChIInChI=1S/C60H36N6/c61-37-39-33-59(65-55-23-11-5-17-46(55)49-34-40(25-27-57(49)65)63-51-19-7-1-13-42(51)43-14-2-8-20-52(43)63)60(36-48(39)38-29-31-62-32-30-38)66-56-24-12-6-18-47(56)50-35-41(26-28-58(50)66)64-53-21-9-3-15-44(53)45-16-4-10-22-54(45)64/h1-36H
InChIKeyDMGUDLXCMXMGIM-UHFFFAOYSA-N
XLogP15.01
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.99
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566451
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618
4-[3-tert-butyl-6-[1-[9-[9-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-4-pyridin-4-ylphenyl]carbazol-2-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(3,6-ditert-butylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292580
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 153027335
2,5-bis(3-tert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292536
2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321066
3-carbazol-9-yl-9-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-isocyano-5-pyridin-4-ylphenyl]carbazole
CID 140846577
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile
CID 146409612
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
CID 138565529

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile (CID 134292574) is 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1-c1ccncc1.
What is the InChIKey of 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
The InChIKey is DMGUDLXCMXMGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6/c61-37-39-33-59(65-55-23-11-5-17-46(55)49-34-40(25-27-57(49)65)63-51-19-7-1-13-42(51)43-14-2-8-20-52(43)63)60(36-48(39)38-29-31-62-32-30-38)66-56-24-12-6-18-47(56)50-35-41(26-28-58(50)66)64-53-21-9-3-15-44(53)45-16-4-10-22-54(45)64/h1-36H.
What are the key properties of 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile?
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile has a molecular weight of 840.99 g/mol, XLogP of 15.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134292574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).