2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile

C70H42N4 — CID 166572256

IUPAC2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc(C#N)c1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C70H42N4/c71-43-45-41-51(73-60-35-19-15-31-56(60)64-62(73)39-37-54-52-29-13-17-33-58(52)69(66(54)64,47-21-5-1-6-22-47)48-23-7-2-8-24-48)42-46(44-72)68(45)74-61-36-20-16-32-57(61)65-63(74)40-38-55-53-30-14-18-34-59(53)70(67(55)65,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H
InChIKeyPKVPLLSFXFAIPW-UHFFFAOYSA-N
MW939.13 g/mol
LogP16.35
Rot. Bonds6

About 2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile

2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 166572256) has the molecular formula C70H42N4 and a molecular weight of 939.13 g/mol. Its IUPAC name is 2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID166572256
Molecular FormulaC70H42N4
Molecular Weight939.13 g/mol
Exact Mass938.34
IUPAC Name2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc(C#N)c1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C70H42N4/c71-43-45-41-51(73-60-35-19-15-31-56(60)64-62(73)39-37-54-52-29-13-17-33-58(52)69(66(54)64,47-21-5-1-6-22-47)48-23-7-2-8-24-48)42-46(44-72)68(45)74-61-36-20-16-32-57(61)65-63(74)40-38-55-53-30-14-18-34-59(53)70(67(55)65,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H
InChIKeyPKVPLLSFXFAIPW-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

2,4-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166572382
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
3,5-bis(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572260
2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572398
2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile
CID 147535638
2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-methylbenzonitrile
CID 118927776
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole
CID 123468895
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[indeno[1,2-c]carbazole-12,9'-thioxanthene]-5-ylbenzonitrile
CID 154589682
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;2,4-diphenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 159443328
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile (CID 166572256) is 2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc(C#N)c1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is PKVPLLSFXFAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4/c71-43-45-41-51(73-60-35-19-15-31-56(60)64-62(73)39-37-54-52-29-13-17-33-58(52)69(66(54)64,47-21-5-1-6-22-47)48-23-7-2-8-24-48)42-46(44-72)68(45)74-61-36-20-16-32-57(61)65-63(74)40-38-55-53-30-14-18-34-59(53)70(67(55)65,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H.
What are the key properties of 2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile?
2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-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(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166572256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).