2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile

C70H42N4 — CID 166572309

IUPAC2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)c(C#N)cc1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C70H42N4/c71-43-45-38-66(74-64-36-20-16-32-54(64)58-40-62-56(42-68(58)74)52-30-14-18-34-60(52)70(62,49-25-9-3-10-26-49)50-27-11-4-12-28-50)46(44-72)37-65(45)73-63-35-19-15-31-53(63)57-39-61-55(41-67(57)73)51-29-13-17-33-59(51)69(61,47-21-5-1-6-22-47)48-23-7-2-8-24-48/h1-42H
InChIKeyZSXBLVKXUWXYTI-UHFFFAOYSA-N
MW939.13 g/mol
LogP16.35
Rot. Bonds6

About 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile

2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile (PubChem CID 166572309) has the molecular formula C70H42N4 and a molecular weight of 939.13 g/mol. Its IUPAC name is 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
PubChem CID166572309
Molecular FormulaC70H42N4
Molecular Weight939.13 g/mol
Exact Mass938.34
IUPAC Name2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)c(C#N)cc1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C70H42N4/c71-43-45-38-66(74-64-36-20-16-32-54(64)58-40-62-56(42-68(58)74)52-30-14-18-34-60(52)70(62,49-25-9-3-10-26-49)50-27-11-4-12-28-50)46(44-72)37-65(45)73-63-35-19-15-31-53(63)57-39-61-55(41-67(57)73)51-29-13-17-33-59(51)69(61,47-21-5-1-6-22-47)48-23-7-2-8-24-48/h1-42H
InChIKeyZSXBLVKXUWXYTI-UHFFFAOYSA-N
XLogP16.35
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.13
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-5-[3-cyano-4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]-3-isocyanobenzene-1,4-dicarbonitrile
CID 140794206
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
2,3,4-tri(carbazol-9-yl)-6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-5-isocyanobenzonitrile
CID 156680308
2,4,5-tri(carbazol-9-yl)-6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
CID 156680190
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
4-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 130219353
4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572322
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
3,4-di(carbazol-9-yl)-2,5-bis(7,7-diphenylindeno[2,1-b]carbazol-5-yl)-6-isocyanobenzonitrile
CID 156680337
2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile
CID 147535638
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328849
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile (CID 166572309) is 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)c(C#N)cc1-n1c2ccccc2c2cc3c(cc21)-c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
The InChIKey is ZSXBLVKXUWXYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4/c71-43-45-38-66(74-64-36-20-16-32-54(64)58-40-62-56(42-68(58)74)52-30-14-18-34-60(52)70(62,49-25-9-3-10-26-49)50-27-11-4-12-28-50)46(44-72)37-65(45)73-63-35-19-15-31-53(63)57-39-61-55(41-67(57)73)51-29-13-17-33-59(51)69(61,47-21-5-1-6-22-47)48-23-7-2-8-24-48/h1-42H.
What are the key properties of 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile?
2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile has a molecular weight of 939.13 g/mol, XLogP of 16.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 166572309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).