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

C70H42N4 — CID 166572398

IUPAC2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc(C#N)c1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C70H42N4/c71-43-45-41-51(73-62-35-19-15-29-52(62)54-37-39-60-64(67(54)73)56-31-13-17-33-58(56)69(60,47-21-5-1-6-22-47)48-23-7-2-8-24-48)42-46(44-72)66(45)74-63-36-20-16-30-53(63)55-38-40-61-65(68(55)74)57-32-14-18-34-59(57)70(61,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H
InChIKeyUVVJZYVMEHTPCC-UHFFFAOYSA-N
MW939.13 g/mol
LogP16.35
Rot. Bonds6

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

2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile (PubChem CID 166572398) has the molecular formula C70H42N4 and a molecular weight of 939.13 g/mol. Its IUPAC name is 2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
PubChem CID166572398
Molecular FormulaC70H42N4
Molecular Weight939.13 g/mol
Exact Mass938.34
IUPAC Name2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc(C#N)c1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C70H42N4/c71-43-45-41-51(73-62-35-19-15-29-52(62)54-37-39-60-64(67(54)73)56-31-13-17-33-58(56)69(60,47-21-5-1-6-22-47)48-23-7-2-8-24-48)42-46(44-72)66(45)74-63-36-20-16-30-53(63)55-38-40-61-65(68(55)74)57-32-14-18-34-59(57)70(61,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H
InChIKeyUVVJZYVMEHTPCC-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

4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572322
4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 129300295
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
2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166572256
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
12-[4-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 140794199
2,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572232
4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965403
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166572309
12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole
CID 135176939

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile (CID 166572398) is 2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile is N#Cc1cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4(c2ccccc2)c2ccccc2)cc(C#N)c1-n1c2ccccc2c2ccc3c(c21)-c1ccccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
The InChIKey is UVVJZYVMEHTPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4/c71-43-45-41-51(73-62-35-19-15-29-52(62)54-37-39-60-64(67(54)73)56-31-13-17-33-58(56)69(60,47-21-5-1-6-22-47)48-23-7-2-8-24-48)42-46(44-72)66(45)74-63-36-20-16-30-53(63)55-38-40-61-65(68(55)74)57-32-14-18-34-59(57)70(61,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-42H.
What are the key properties of 2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile?
2,5-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 2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166572398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).