5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile

C126H88F12N6 — CID 139402009

IUPAC5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5CCc5ccc(-c6ccc7c8ccc(-c9ccc(C)cc9C)cc8n(-c8cc(-c9ccc(C(F)(F)F)cc9C(F)(F)F)c(-n9c%10cc(-c%11ccc(C)cc%11C)ccc%10c%10ccc(-c%11ccc(C)cc%11C)cc%109)cc8C#N)c7c6)c(C)c5)ccc43)cc2C#N)c(C)c1
InChIInChI=1S/C126H88F12N6/c1-69-19-35-91(74(6)49-69)81-31-47-113-105(55-81)99-15-11-13-17-111(99)141(113)115-65-107(97-45-33-89(123(127,128)129)63-109(97)125(133,134)135)121(61-87(115)67-139)142-112-18-14-12-16-100(112)106-56-82(32-48-114(106)142)96-39-23-73(5)53-80(96)26-24-79-25-40-95(78(10)54-79)86-30-42-102-101-41-27-83(92-36-20-70(2)50-75(92)7)57-117(101)143(118(102)58-86)116-66-108(98-46-34-90(124(130,131)132)64-110(98)126(136,137)138)122(62-88(116)68-140)144-119-59-84(93-37-21-71(3)51-76(93)8)28-43-103(119)104-44-29-85(60-120(104)144)94-38-22-72(4)52-77(94)9/h11-23,25,27-66H,24,26H2,1-10H3
InChIKeyNUXVSXJCDOPZNO-UHFFFAOYSA-N
MW1914.11 g/mol
LogP36.10
Rot. Bonds15

About 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile

5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 139402009) has the molecular formula C126H88F12N6 and a molecular weight of 1914.11 g/mol. Its IUPAC name is 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
PubChem CID139402009
Molecular FormulaC126H88F12N6
Molecular Weight1914.11 g/mol
Exact Mass1912.69
IUPAC Name5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5CCc5ccc(-c6ccc7c8ccc(-c9ccc(C)cc9C)cc8n(-c8cc(-c9ccc(C(F)(F)F)cc9C(F)(F)F)c(-n9c%10cc(-c%11ccc(C)cc%11C)ccc%10c%10ccc(-c%11ccc(C)cc%11C)cc%109)cc8C#N)c7c6)c(C)c5)ccc43)cc2C#N)c(C)c1
InChIInChI=1S/C126H88F12N6/c1-69-19-35-91(74(6)49-69)81-31-47-113-105(55-81)99-15-11-13-17-111(99)141(113)115-65-107(97-45-33-89(123(127,128)129)63-109(97)125(133,134)135)121(61-87(115)67-139)142-112-18-14-12-16-100(112)106-56-82(32-48-114(106)142)96-39-23-73(5)53-80(96)26-24-79-25-40-95(78(10)54-79)86-30-42-102-101-41-27-83(92-36-20-70(2)50-75(92)7)57-117(101)143(118(102)58-86)116-66-108(98-46-34-90(124(130,131)132)64-110(98)126(136,137)138)122(62-88(116)68-140)144-119-59-84(93-37-21-71(3)51-76(93)8)28-43-103(119)104-44-29-85(60-120(104)144)94-38-22-72(4)52-77(94)9/h11-23,25,27-66H,24,26H2,1-10H3
InChIKeyNUXVSXJCDOPZNO-UHFFFAOYSA-N
XLogP36.10
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001914.11
LogP ≤ 536.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 157403628
4-[2,4-bis(trifluoromethyl)phenyl]-2,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 138567394
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile;4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 158283919
2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 158815524
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402136
3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 162028675
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 134473578
4-[2,4-bis(trifluoromethyl)phenyl]-3-[3-[9-[2-[2,4-bis(trifluoromethyl)phenyl]-5-cyano-3-(2,7-dimethylcarbazol-9-yl)phenyl]-2,7-dimethylcarbazol-3-yl]-6-methylcarbazol-9-yl]-5-(3-methylcarbazol-9-yl)benzonitrile
CID 139402034
2,6-bis[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4-cyano-2-methylphenyl)benzonitrile;2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4-cyano-2-methylphenyl)-6-[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]-6-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 159509913
2-[2,4-bis(trifluoromethyl)phenyl]-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134473580
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile (CID 139402009) is 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5CCc5ccc(-c6ccc7c8ccc(-c9ccc(C)cc9C)cc8n(-c8cc(-c9ccc(C(F)(F)F)cc9C(F)(F)F)c(-n9c%10cc(-c%11ccc(C)cc%11C)ccc%10c%10ccc(-c%11ccc(C)cc%11C)cc%109)cc8C#N)c7c6)c(C)c5)ccc43)cc2C#N)c(C)c1.
What is the InChIKey of 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is NUXVSXJCDOPZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H88F12N6/c1-69-19-35-91(74(6)49-69)81-31-47-113-105(55-81)99-15-11-13-17-111(99)141(113)115-65-107(97-45-33-89(123(127,128)129)63-109(97)125(133,134)135)121(61-87(115)67-139)142-112-18-14-12-16-100(112)106-56-82(32-48-114(106)142)96-39-23-73(5)53-80(96)26-24-79-25-40-95(78(10)54-79)86-30-42-102-101-41-27-83(92-36-20-70(2)50-75(92)7)57-117(101)143(118(102)58-86)116-66-108(98-46-34-90(124(130,131)132)64-110(98)126(136,137)138)122(62-88(116)68-140)144-119-59-84(93-37-21-71(3)51-76(93)8)28-43-103(119)104-44-29-85(60-120(104)144)94-38-22-72(4)52-77(94)9/h11-23,25,27-66H,24,26H2,1-10H3.
What are the key properties of 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile?
5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 1914.11 g/mol, XLogP of 36.10, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[2-[4-[9-[4-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-4-methylphenyl]carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 139402009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).