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

C197H143F18N9 — CID 158283919

IUPAC2,6-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
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2C#N)c(C)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2C#N)c(C)c1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1
InChIInChI=1S/2C71H53F6N3.C55H37F6N3/c1-39-9-18-53(43(5)27-39)47-13-23-64-58(31-47)59-32-48(54-19-10-40(2)28-44(54)6)14-24-65(59)79(64)68-35-51(57-22-17-52(70(72,73)74)37-63(57)71(75,76)77)36-69(62(68)38-78)80-66-25-15-49(55-20-11-41(3)29-45(55)7)33-60(66)61-34-50(16-26-67(61)80)56-21-12-42(4)30-46(56)8;1-39-9-18-53(43(5)27-39)47-13-22-58-59-23-14-48(54-19-10-40(2)28-44(54)6)32-65(59)79(64(58)31-47)68-35-51(57-26-17-52(70(72,73)74)37-63(57)71(75,76)77)36-69(62(68)38-78)80-66-33-49(55-20-11-41(3)29-45(55)7)15-24-60(66)61-25-16-50(34-67(61)80)56-21-12-42(4)30-46(56)8;1-31-13-18-39(33(3)23-31)35-15-21-50-44(25-35)42-9-5-7-11-48(42)63(50)52-27-37(41-20-17-38(54(56,57)58)29-47(41)55(59,60)61)28-53(46(52)30-62)64-49-12-8-6-10-43(49)45-26-36(16-22-51(45)64)40-19-14-32(2)24-34(40)4/h2*9-37H,1-8H3;5-29H,1-4H3
InChIKeyGKNQXAPFCBWWBD-UHFFFAOYSA-N
MW2978.34 g/mol
LogP57.21
Rot. Bonds19

About 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

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 (PubChem CID 158283919) has the molecular formula C197H143F18N9 and a molecular weight of 2978.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID158283919
Molecular FormulaC197H143F18N9
Molecular Weight2978.34 g/mol
Exact Mass2976.12
IUPAC Name2,6-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
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2C#N)c(C)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2C#N)c(C)c1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1
InChIInChI=1S/2C71H53F6N3.C55H37F6N3/c1-39-9-18-53(43(5)27-39)47-13-23-64-58(31-47)59-32-48(54-19-10-40(2)28-44(54)6)14-24-65(59)79(64)68-35-51(57-22-17-52(70(72,73)74)37-63(57)71(75,76)77)36-69(62(68)38-78)80-66-25-15-49(55-20-11-41(3)29-45(55)7)33-60(66)61-34-50(16-26-67(61)80)56-21-12-42(4)30-46(56)8;1-39-9-18-53(43(5)27-39)47-13-22-58-59-23-14-48(54-19-10-40(2)28-44(54)6)32-65(59)79(64(58)31-47)68-35-51(57-26-17-52(70(72,73)74)37-63(57)71(75,76)77)36-69(62(68)38-78)80-66-33-49(55-20-11-41(3)29-45(55)7)15-24-60(66)61-25-16-50(34-67(61)80)56-21-12-42(4)30-46(56)8;1-31-13-18-39(33(3)23-31)35-15-21-50-44(25-35)42-9-5-7-11-48(42)63(50)52-27-37(41-20-17-38(54(56,57)58)29-47(41)55(59,60)61)28-53(46(52)30-62)64-49-12-8-6-10-43(49)45-26-36(16-22-51(45)64)40-19-14-32(2)24-34(40)4/h2*9-37H,1-8H3;5-29H,1-4H3
InChIKeyGKNQXAPFCBWWBD-UHFFFAOYSA-N
XLogP57.21
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002978.34
LogP ≤ 557.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2,6-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 139402136
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 139402021
2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386835
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
4-[4-cyano-2-(trifluoromethyl)phenyl]-2-(2-methylcarbazol-9-yl)-6-[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 158810448
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(2-tert-butylcarbazol-9-yl)benzonitrile
CID 134473616
2,6-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 142501960
5-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473326
2,6-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 161454396
4-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134473325
4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134473797
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2C#N)c(C)c1.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2C#N)c(C)c1.Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1.
What is the InChIKey of 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?
The InChIKey is GKNQXAPFCBWWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C71H53F6N3.C55H37F6N3/c1-39-9-18-53(43(5)27-39)47-13-23-64-58(31-47)59-32-48(54-19-10-40(2)28-44(54)6)14-24-65(59)79(64)68-35-51(57-22-17-52(70(72,73)74)37-63(57)71(75,76)77)36-69(62(68)38-78)80-66-25-15-49(55-20-11-41(3)29-45(55)7)33-60(66)61-34-50(16-26-67(61)80)56-21-12-42(4)30-46(56)8;1-39-9-18-53(43(5)27-39)47-13-22-58-59-23-14-48(54-19-10-40(2)28-44(54)6)32-65(59)79(64(58)31-47)68-35-51(57-26-17-52(70(72,73)74)37-63(57)71(75,76)77)36-69(62(68)38-78)80-66-33-49(55-20-11-41(3)29-45(55)7)15-24-60(66)61-25-16-50(34-67(61)80)56-21-12-42(4)30-46(56)8;1-31-13-18-39(33(3)23-31)35-15-21-50-44(25-35)42-9-5-7-11-48(42)63(50)52-27-37(41-20-17-38(54(56,57)58)29-47(41)55(59,60)61)28-53(46(52)30-62)64-49-12-8-6-10-43(49)45-26-36(16-22-51(45)64)40-19-14-32(2)24-34(40)4/h2*9-37H,1-8H3;5-29H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2978.34 g/mol, XLogP of 57.21, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158283919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).