4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile

C362H241F15N24 — CID 161252301

IUPAC4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(C#N)c(-c3ccc(C(F)(F)F)cc3C#N)cc2-n2c3ccc(-c4cccc(C)c4)cc3c3cc(-c4cccc(C)c4)ccc32)c1.[C-]#[N+]c1cc(-n2c3cc(-c4ccc(C)cc4)ccc3c3ccc(-c4ccc(C)cc4)cc32)c(-n2c3cc(-c4ccc(C)cc4)ccc3c3ccc(-c4ccc(C)cc4)cc32)cc1-c1ccc(C)cc1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)c(-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccc(C)cc4)cc32)c(-n2c3ccccc3c3ccc(-c4ccc(C)cc4)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccc(C)cc4C)cc32)c(-n2c3ccccc3c3ccc(-c4ccc(C)cc4C)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/2C67H45F3N4.C67H48N4.C55H37F3N4.2C53H33F3N4/c1-40-6-14-44(15-7-40)48-22-28-61-56(33-48)57-34-49(45-16-8-41(2)9-17-45)23-29-62(57)73(61)65-37-55(54-27-26-53(67(68,69)70)32-52(54)39-71)60(72-5)38-66(65)74-63-30-24-50(46-18-10-42(3)11-19-46)35-58(63)59-36-51(25-31-64(59)74)47-20-12-43(4)13-21-47;1-40-9-5-13-44(27-40)48-17-23-61-57(32-48)58-33-49(45-14-6-10-41(2)28-45)18-24-62(58)73(61)65-36-53(39-72)56(55-22-21-54(67(68,69)70)31-52(55)38-71)37-66(65)74-63-25-19-50(46-15-7-11-42(3)29-46)34-59(63)60-35-51(20-26-64(60)74)47-16-8-12-43(4)30-47;1-41-7-16-46(17-8-41)50-24-29-56-57-30-25-51(47-18-9-42(2)10-19-47)35-63(57)70(62(56)34-50)66-38-60(55-28-15-45(5)33-54(55)40-68)61(69-6)39-67(66)71-64-36-52(48-20-11-43(3)12-21-48)26-31-58(64)59-32-27-53(37-65(59)71)49-22-13-44(4)14-23-49;1-32-14-19-40(34(3)24-32)36-16-21-45-43-10-6-8-12-49(43)61(51(45)27-36)53-29-47(42-23-18-39(55(56,57)58)26-38(42)31-59)48(60-5)30-54(53)62-50-13-9-7-11-44(50)46-22-17-37(28-52(46)62)41-20-15-33(2)25-35(41)4;1-32-12-16-34(17-13-32)36-20-24-49-44(27-36)41-8-4-6-10-47(41)59(49)51-29-43(40-23-22-39(53(54,55)56)26-38(40)31-57)46(58-3)30-52(51)60-48-11-7-5-9-42(48)45-28-37(21-25-50(45)60)35-18-14-33(2)15-19-35;1-32-12-16-34(17-13-32)36-20-23-43-41-8-4-6-10-47(41)59(49(43)27-36)51-29-45(40-25-22-39(53(54,55)56)26-38(40)31-57)46(58-3)30-52(51)60-48-11-7-5-9-42(48)44-24-21-37(28-50(44)60)35-18-14-33(2)15-19-35/h6-38H,1-4H3;5-37H,1-4H3;7-39H,1-5H3;6-30H,1-4H3;2*4-30H,1-2H3
InChIKeyVBKUGOCFMDKVFB-UHFFFAOYSA-N
MW5212.05 g/mol
LogP100.72
Rot. Bonds36

About 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile

4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile (PubChem CID 161252301) has the molecular formula C362H241F15N24 and a molecular weight of 5212.05 g/mol. Its IUPAC name is 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile
PubChem CID161252301
Molecular FormulaC362H241F15N24
Molecular Weight5212.05 g/mol
Exact Mass5207.94
IUPAC Name4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(C#N)c(-c3ccc(C(F)(F)F)cc3C#N)cc2-n2c3ccc(-c4cccc(C)c4)cc3c3cc(-c4cccc(C)c4)ccc32)c1.[C-]#[N+]c1cc(-n2c3cc(-c4ccc(C)cc4)ccc3c3ccc(-c4ccc(C)cc4)cc32)c(-n2c3cc(-c4ccc(C)cc4)ccc3c3ccc(-c4ccc(C)cc4)cc32)cc1-c1ccc(C)cc1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)c(-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccc(C)cc4)cc32)c(-n2c3ccccc3c3ccc(-c4ccc(C)cc4)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccc(C)cc4C)cc32)c(-n2c3ccccc3c3ccc(-c4ccc(C)cc4C)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/2C67H45F3N4.C67H48N4.C55H37F3N4.2C53H33F3N4/c1-40-6-14-44(15-7-40)48-22-28-61-56(33-48)57-34-49(45-16-8-41(2)9-17-45)23-29-62(57)73(61)65-37-55(54-27-26-53(67(68,69)70)32-52(54)39-71)60(72-5)38-66(65)74-63-30-24-50(46-18-10-42(3)11-19-46)35-58(63)59-36-51(25-31-64(59)74)47-20-12-43(4)13-21-47;1-40-9-5-13-44(27-40)48-17-23-61-57(32-48)58-33-49(45-14-6-10-41(2)28-45)18-24-62(58)73(61)65-36-53(39-72)56(55-22-21-54(67(68,69)70)31-52(55)38-71)37-66(65)74-63-25-19-50(46-15-7-11-42(3)29-46)34-59(63)60-35-51(20-26-64(60)74)47-16-8-12-43(4)30-47;1-41-7-16-46(17-8-41)50-24-29-56-57-30-25-51(47-18-9-42(2)10-19-47)35-63(57)70(62(56)34-50)66-38-60(55-28-15-45(5)33-54(55)40-68)61(69-6)39-67(66)71-64-36-52(48-20-11-43(3)12-21-48)26-31-58(64)59-32-27-53(37-65(59)71)49-22-13-44(4)14-23-49;1-32-14-19-40(34(3)24-32)36-16-21-45-43-10-6-8-12-49(43)61(51(45)27-36)53-29-47(42-23-18-39(55(56,57)58)26-38(42)31-59)48(60-5)30-54(53)62-50-13-9-7-11-44(50)46-22-17-37(28-52(46)62)41-20-15-33(2)25-35(41)4;1-32-12-16-34(17-13-32)36-20-24-49-44(27-36)41-8-4-6-10-47(41)59(49)51-29-43(40-23-22-39(53(54,55)56)26-38(40)31-57)46(58-3)30-52(51)60-48-11-7-5-9-42(48)45-28-37(21-25-50(45)60)35-18-14-33(2)15-19-35;1-32-12-16-34(17-13-32)36-20-23-43-41-8-4-6-10-47(41)59(49(43)27-36)51-29-45(40-25-22-39(53(54,55)56)26-38(40)31-57)46(58-3)30-52(51)60-48-11-7-5-9-42(48)44-24-21-37(28-50(44)60)35-18-14-33(2)15-19-35/h6-38H,1-4H3;5-37H,1-4H3;7-39H,1-5H3;6-30H,1-4H3;2*4-30H,1-2H3
InChIKeyVBKUGOCFMDKVFB-UHFFFAOYSA-N
XLogP100.72
TPSA247.49 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms401
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005212.05
LogP ≤ 5100.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile with MolForge

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Related Compounds

2-[2-isocyano-4,5-bis[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile
CID 153302974
2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile
CID 153302736
2-[4,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile
CID 153302811
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile;3-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-isocyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile;3-[2-isocyano-4,5-bis[2-(2-methylphenyl)carbazol-9-yl]phenyl]benzonitrile;3-[2-isocyano-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 159024972
2-[4,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile
CID 153302781
2-[4,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile
CID 153302718
2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile
CID 161252302
3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 153302743
2-[4-[2,7-bis(3-isocyanophenyl)carbazol-9-yl]-5-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile
CID 153303197
2,6-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 160556570
2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-6-[3-[4-[5-[9-[2-cyano-3-[2-[3-[9-[2-cyano-5-[2-cyano-4-(trifluoromethyl)phenyl]-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-6-(4-methylphenyl)carbazol-3-yl]-4-methylphenyl]carbazol-9-yl]-5-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-methylphenyl]-3-methylphenyl]-6-(3-methylphenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile
CID 162609129
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

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile (CID 161252301) is 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile is Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2cc(C#N)c(-c3ccc(C(F)(F)F)cc3C#N)cc2-n2c3ccc(-c4cccc(C)c4)cc3c3cc(-c4cccc(C)c4)ccc32)c1.[C-]#[N+]c1cc(-n2c3cc(-c4ccc(C)cc4)ccc3c3ccc(-c4ccc(C)cc4)cc32)c(-n2c3cc(-c4ccc(C)cc4)ccc3c3ccc(-c4ccc(C)cc4)cc32)cc1-c1ccc(C)cc1C#N.[C-]#[N+]c1cc(-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)c(-n2c3ccc(-c4ccc(C)cc4)cc3c3cc(-c4ccc(C)cc4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccc(C)cc4)cc32)c(-n2c3ccccc3c3ccc(-c4ccc(C)cc4)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccc(C)cc4C)cc32)c(-n2c3ccccc3c3ccc(-c4ccc(C)cc4C)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile?
The InChIKey is VBKUGOCFMDKVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C67H45F3N4.C67H48N4.C55H37F3N4.2C53H33F3N4/c1-40-6-14-44(15-7-40)48-22-28-61-56(33-48)57-34-49(45-16-8-41(2)9-17-45)23-29-62(57)73(61)65-37-55(54-27-26-53(67(68,69)70)32-52(54)39-71)60(72-5)38-66(65)74-63-30-24-50(46-18-10-42(3)11-19-46)35-58(63)59-36-51(25-31-64(59)74)47-20-12-43(4)13-21-47;1-40-9-5-13-44(27-40)48-17-23-61-57(32-48)58-33-49(45-14-6-10-41(2)28-45)18-24-62(58)73(61)65-36-53(39-72)56(55-22-21-54(67(68,69)70)31-52(55)38-71)37-66(65)74-63-25-19-50(46-15-7-11-42(3)29-46)34-59(63)60-35-51(20-26-64(60)74)47-16-8-12-43(4)30-47;1-41-7-16-46(17-8-41)50-24-29-56-57-30-25-51(47-18-9-42(2)10-19-47)35-63(57)70(62(56)34-50)66-38-60(55-28-15-45(5)33-54(55)40-68)61(69-6)39-67(66)71-64-36-52(48-20-11-43(3)12-21-48)26-31-58(64)59-32-27-53(37-65(59)71)49-22-13-44(4)14-23-49;1-32-14-19-40(34(3)24-32)36-16-21-45-43-10-6-8-12-49(43)61(51(45)27-36)53-29-47(42-23-18-39(55(56,57)58)26-38(42)31-59)48(60-5)30-54(53)62-50-13-9-7-11-44(50)46-22-17-37(28-52(46)62)41-20-15-33(2)25-35(41)4;1-32-12-16-34(17-13-32)36-20-24-49-44(27-36)41-8-4-6-10-47(41)59(49)51-29-43(40-23-22-39(53(54,55)56)26-38(40)31-57)46(58-3)30-52(51)60-48-11-7-5-9-42(48)45-28-37(21-25-50(45)60)35-18-14-33(2)15-19-35;1-32-12-16-34(17-13-32)36-20-23-43-41-8-4-6-10-47(41)59(49(43)27-36)51-29-45(40-25-22-39(53(54,55)56)26-38(40)31-57)46(58-3)30-52(51)60-48-11-7-5-9-42(48)44-24-21-37(28-50(44)60)35-18-14-33(2)15-19-35/h6-38H,1-4H3;5-37H,1-4H3;7-39H,1-5H3;6-30H,1-4H3;2*4-30H,1-2H3.
What are the key properties of 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile?
4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile has a molecular weight of 5212.05 g/mol, XLogP of 100.72, 36 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;2-[4,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[2-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile;2-[2-isocyano-4,5-bis[3-(4-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 161252301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).