4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile

C70H42N4 — CID 166572322

IUPAC4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C70H42N4/c71-43-45-41-46(44-72)64(74-62-36-20-16-30-52(62)54-38-40-60-66(68(54)74)56-32-14-18-34-58(56)70(60,49-25-9-3-10-26-49)50-27-11-4-12-28-50)42-63(45)73-61-35-19-15-29-51(61)53-37-39-59-65(67(53)73)55-31-13-17-33-57(55)69(59,47-21-5-1-6-22-47)48-23-7-2-8-24-48/h1-42H
InChIKeyCFNYNFYLMJLZDB-UHFFFAOYSA-N
MW939.13 g/mol
LogP16.35
Rot. Bonds6

About 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile

4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile (PubChem CID 166572322) has the molecular formula C70H42N4 and a molecular weight of 939.13 g/mol. Its IUPAC name is 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
PubChem CID166572322
Molecular FormulaC70H42N4
Molecular Weight939.13 g/mol
Exact Mass938.34
IUPAC Name4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C70H42N4/c71-43-45-41-46(44-72)64(74-62-36-20-16-30-52(62)54-38-40-60-66(68(54)74)56-32-14-18-34-58(56)70(60,49-25-9-3-10-26-49)50-27-11-4-12-28-50)42-63(45)73-61-35-19-15-29-51(61)53-37-39-59-65(67(53)73)55-31-13-17-33-57(55)69(59,47-21-5-1-6-22-47)48-23-7-2-8-24-48/h1-42H
InChIKeyCFNYNFYLMJLZDB-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

2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572398
4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 129300295
2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166572309
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
12'-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014850
12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole
CID 135176939
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
2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile
CID 147535638
12-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 140794199
5-benzo[c]carbazol-7-yl-2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-4-isocyanobenzonitrile
CID 153462649
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile (CID 166572322) is 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The InChIKey is CFNYNFYLMJLZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4/c71-43-45-41-46(44-72)64(74-62-36-20-16-30-52(62)54-38-40-60-66(68(54)74)56-32-14-18-34-58(56)70(60,49-25-9-3-10-26-49)50-27-11-4-12-28-50)42-63(45)73-61-35-19-15-29-51(61)53-37-39-59-65(67(53)73)55-31-13-17-33-57(55)69(59,47-21-5-1-6-22-47)48-23-7-2-8-24-48/h1-42H.
What are the key properties of 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-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 4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166572322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).