4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile

C58H33N5 — CID 129300295

IUPAC4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(c3ccccc3)c3ccccc3)c2C#N)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H33N5/c59-34-37-31-39(33-42(32-37)62-52-24-12-8-19-44(52)45-20-9-13-25-53(45)62)43-28-27-38(35-60)56(49(43)36-61)63-54-26-14-10-21-46(54)47-29-30-51-55(57(47)63)48-22-7-11-23-50(48)58(51,40-15-3-1-4-16-40)41-17-5-2-6-18-41/h1-33H
InChIKeyUYXWUZOFYBDJLL-UHFFFAOYSA-N
MW799.94 g/mol
LogP13.53
Rot. Bonds5

About 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile

4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile (PubChem CID 129300295) has the molecular formula C58H33N5 and a molecular weight of 799.94 g/mol. Its IUPAC name is 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
PubChem CID129300295
Molecular FormulaC58H33N5
Molecular Weight799.94 g/mol
Exact Mass799.27
IUPAC Name4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(c3ccccc3)c3ccccc3)c2C#N)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H33N5/c59-34-37-31-39(33-42(32-37)62-52-24-12-8-19-44(52)45-20-9-13-25-53(45)62)43-28-27-38(35-60)56(49(43)36-61)63-54-26-14-10-21-46(54)47-29-30-51-55(57(47)63)48-22-7-11-23-50(48)58(51,40-15-3-1-4-16-40)41-17-5-2-6-18-41/h1-33H
InChIKeyUYXWUZOFYBDJLL-UHFFFAOYSA-N
XLogP13.53
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.94
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572398
4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572322
3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile
CID 129299851
3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129290965
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 139407394
3-[4-[3-(14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole
CID 164957440
12-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 140794199
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155081382
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-cyanophenyl]benzonitrile
CID 129300362
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 158558993

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile (CID 129300295) is 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(c3ccccc3)c3ccccc3)c2C#N)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The InChIKey is UYXWUZOFYBDJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N5/c59-34-37-31-39(33-42(32-37)62-52-24-12-8-19-44(52)45-20-9-13-25-53(45)62)43-28-27-38(35-60)56(49(43)36-61)63-54-26-14-10-21-46(54)47-29-30-51-55(57(47)63)48-22-7-11-23-50(48)58(51,40-15-3-1-4-16-40)41-17-5-2-6-18-41/h1-33H.
What are the key properties of 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile has a molecular weight of 799.94 g/mol, XLogP of 13.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 129300295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).