2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile

C104H64F6N10 — CID 162611024

IUPAC2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)c(-n4c5ccccc5c5ccc6c(c7c(n6Cc6ccc8c(c6)c6ccc9c%10ccccc%10n(-c%10cc(-c%11cccc(C(F)(F)F)c%11)c(-n%11c%12ccccc%12c%12ccc%13c%14ccccc%14n(C)c%13c%12%11)cc%10C#N)c9c6n8C)C=CCC7)c54)cc3-c3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C104H64F6N10/c1-113-82-32-12-9-29-76(82)95-89(113)46-43-70-67-26-6-16-36-87(67)119(97(70)95)93-51-61(55-111)91(53-78(93)59-20-18-22-63(49-59)103(105,106)107)117-85-34-14-5-25-66(85)71-44-47-90-96(98(71)117)77-30-10-13-33-84(77)116(90)57-58-38-45-83-80(48-58)75-42-41-73-68-27-7-15-35-86(68)118(101(73)100(75)115(83)3)92-54-79(60-21-19-23-64(50-60)104(108,109)110)94(52-62(92)56-112)120-88-37-17-8-28-69(88)74-40-39-72-65-24-4-11-31-81(65)114(2)99(72)102(74)120/h4-9,11-29,31-54H,10,30,57H2,1-3H3
InChIKeyPMYPZBCHIHNXBM-UHFFFAOYSA-N
MW1567.71 g/mol
LogP27.09
Rot. Bonds8

About 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile

2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 162611024) has the molecular formula C104H64F6N10 and a molecular weight of 1567.71 g/mol. Its IUPAC name is 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile
PubChem CID162611024
Molecular FormulaC104H64F6N10
Molecular Weight1567.71 g/mol
Exact Mass1566.52
IUPAC Name2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile
SMILESCn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)c(-n4c5ccccc5c5ccc6c(c7c(n6Cc6ccc8c(c6)c6ccc9c%10ccccc%10n(-c%10cc(-c%11cccc(C(F)(F)F)c%11)c(-n%11c%12ccccc%12c%12ccc%13c%14ccccc%14n(C)c%13c%12%11)cc%10C#N)c9c6n8C)C=CCC7)c54)cc3-c3cccc(C(F)(F)F)c3)c12
InChIInChI=1S/C104H64F6N10/c1-113-82-32-12-9-29-76(82)95-89(113)46-43-70-67-26-6-16-36-87(67)119(97(70)95)93-51-61(55-111)91(53-78(93)59-20-18-22-63(49-59)103(105,106)107)117-85-34-14-5-25-66(85)71-44-47-90-96(98(71)117)77-30-10-13-33-84(77)116(90)57-58-38-45-83-80(48-58)75-42-41-73-68-27-7-15-35-86(68)118(101(73)100(75)115(83)3)92-54-79(60-21-19-23-64(50-60)104(108,109)110)94(52-62(92)56-112)120-88-37-17-8-28-69(88)74-40-39-72-65-24-4-11-31-81(65)114(2)99(72)102(74)120/h4-9,11-29,31-54H,10,30,57H2,1-3H3
InChIKeyPMYPZBCHIHNXBM-UHFFFAOYSA-N
XLogP27.09
TPSA87.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001567.71
LogP ≤ 527.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 155377911
5-methyl-12-[2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 142502095
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137386619
2,5-bis[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142502046
3-[3-cyano-5-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 142508625
9-[2-cyano-4-(2,7-dicyanocarbazol-9-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
CID 142502036
2,5-bis[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501945
4-(3-cyano-5-methylphenyl)-2,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile
CID 159036284
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826
4-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]-5-(3,4-dihydrocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 167280735
5-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386723
4-[9-[2-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]-4-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137386904

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile (CID 162611024) is 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile is Cn1c2ccccc2c2c1ccc1c3ccccc3n(-c3cc(C#N)c(-n4c5ccccc5c5ccc6c(c7c(n6Cc6ccc8c(c6)c6ccc9c%10ccccc%10n(-c%10cc(-c%11cccc(C(F)(F)F)c%11)c(-n%11c%12ccccc%12c%12ccc%13c%14ccccc%14n(C)c%13c%12%11)cc%10C#N)c9c6n8C)C=CCC7)c54)cc3-c3cccc(C(F)(F)F)c3)c12.
What is the InChIKey of 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is PMYPZBCHIHNXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H64F6N10/c1-113-82-32-12-9-29-76(82)95-89(113)46-43-70-67-26-6-16-36-87(67)119(97(70)95)93-51-61(55-111)91(53-78(93)59-20-18-22-63(49-59)103(105,106)107)117-85-34-14-5-25-66(85)71-44-47-90-96(98(71)117)77-30-10-13-33-84(77)116(90)57-58-38-45-83-80(48-58)75-42-41-73-68-27-7-15-35-86(68)118(101(73)100(75)115(83)3)92-54-79(60-21-19-23-64(50-60)104(108,109)110)94(52-62(92)56-112)120-88-37-17-8-28-69(88)74-40-39-72-65-24-4-11-31-81(65)114(2)99(72)102(74)120/h4-9,11-29,31-54H,10,30,57H2,1-3H3.
What are the key properties of 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile?
2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1567.71 g/mol, XLogP of 27.09, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[11-[2-cyano-4-(11-methylindolo[2,3-a]carbazol-12-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-12-methylindolo[2,3-a]carbazol-3-yl]methyl]-1,2-dihydroindolo[3,2-c]carbazol-12-yl]-5-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[3-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 162611024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).