4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile

C261H148F12N28 — CID 157400802

IUPAC4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2ccc(C#N)cc2C)c1-c1c([N+]#[C-])cccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1-c1c(-c2ccc(C#N)cc2C)cccc1-n1c2ccc(C)cc2c2cc(C(F)(F)F)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)c1-c1c(-c2ccc(C#N)cc2C)cccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-c1c(-c2ccc(C#N)cc2C)cccc1-n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C69H42N6.C49H27F9N4.C49H24N8.C47H29F3N4.C47H26N6/c1-43-35-44(42-70)29-32-49(43)45-30-34-65(75-64-28-16-12-24-53(64)59-39-57-51-22-10-14-26-62(51)73(67(57)41-69(59)75)47-19-7-4-8-20-47)55(36-45)54-37-48(31-33-60(54)71-2)74-63-27-15-11-23-52(63)58-38-56-50-21-9-13-25-61(50)72(66(56)40-68(58)74)46-17-5-3-6-18-46;1-26-10-16-39-34(20-26)35-22-29(47(50,51)52)12-17-40(35)61(39)43-8-4-6-33(32-15-11-28(25-59)21-27(32)2)45(43)46-38(60-3)7-5-9-44(46)62-41-18-13-30(48(53,54)55)23-36(41)37-24-31(49(56,57)58)14-19-42(37)62;1-29-20-30(25-50)10-15-35(29)36-6-4-8-46(56-44-18-13-33(28-53)23-39(44)40-24-34(54-2)14-19-45(40)56)48(36)49-41(55-3)7-5-9-47(49)57-42-16-11-31(26-51)21-37(42)38-22-32(27-52)12-17-43(38)57;1-28-18-22-41-36(24-28)33-10-4-6-14-39(33)53(41)43-16-8-12-35(32-21-19-30(27-51)25-29(32)2)45(43)46-38(52-3)13-9-17-44(46)54-40-15-7-5-11-34(40)37-26-31(47(48,49)50)20-23-42(37)54;1-29-23-30(26-48)17-20-33(29)36-11-7-15-44(52-40-13-5-3-9-34(40)37-24-31(27-49)18-21-42(37)52)46(36)47-39(51-2)12-8-16-45(47)53-41-14-6-4-10-35(41)38-25-32(28-50)19-22-43(38)53/h3-41H,1H3;4-24H,1-2H3;4-24H,1H3;4-26H,1-2H3;3-25H,1H3
InChIKeyBNDDPBLSRXKDOD-UHFFFAOYSA-N
MW3904.23 g/mol
LogP70.52
Rot. Bonds22

About 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile

4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile (PubChem CID 157400802) has the molecular formula C261H148F12N28 and a molecular weight of 3904.23 g/mol. Its IUPAC name is 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
PubChem CID157400802
Molecular FormulaC261H148F12N28
Molecular Weight3904.23 g/mol
Exact Mass3901.23
IUPAC Name4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2ccc(C#N)cc2C)c1-c1c([N+]#[C-])cccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1-c1c(-c2ccc(C#N)cc2C)cccc1-n1c2ccc(C)cc2c2cc(C(F)(F)F)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)c1-c1c(-c2ccc(C#N)cc2C)cccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-c1c(-c2ccc(C#N)cc2C)cccc1-n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C69H42N6.C49H27F9N4.C49H24N8.C47H29F3N4.C47H26N6/c1-43-35-44(42-70)29-32-49(43)45-30-34-65(75-64-28-16-12-24-53(64)59-39-57-51-22-10-14-26-62(51)73(67(57)41-69(59)75)47-19-7-4-8-20-47)55(36-45)54-37-48(31-33-60(54)71-2)74-63-27-15-11-23-52(63)58-38-56-50-21-9-13-25-61(50)72(66(56)40-68(58)74)46-17-5-3-6-18-46;1-26-10-16-39-34(20-26)35-22-29(47(50,51)52)12-17-40(35)61(39)43-8-4-6-33(32-15-11-28(25-59)21-27(32)2)45(43)46-38(60-3)7-5-9-44(46)62-41-18-13-30(48(53,54)55)23-36(41)37-24-31(49(56,57)58)14-19-42(37)62;1-29-20-30(25-50)10-15-35(29)36-6-4-8-46(56-44-18-13-33(28-53)23-39(44)40-24-34(54-2)14-19-45(40)56)48(36)49-41(55-3)7-5-9-47(49)57-42-16-11-31(26-51)21-37(42)38-22-32(27-52)12-17-43(38)57;1-28-18-22-41-36(24-28)33-10-4-6-14-39(33)53(41)43-16-8-12-35(32-21-19-30(27-51)25-29(32)2)45(43)46-38(52-3)13-9-17-44(46)54-40-15-7-5-11-34(40)37-26-31(47(48,49)50)20-23-42(37)54;1-29-23-30(26-48)17-20-33(29)36-11-7-15-44(52-40-13-5-3-9-34(40)37-24-31(27-49)18-21-42(37)52)46(36)47-39(51-2)12-8-16-45(47)53-41-14-6-4-10-35(41)38-25-32(28-50)19-22-43(38)53/h3-41H,1H3;4-24H,1-2H3;4-24H,1H3;4-26H,1-2H3;3-25H,1H3
InChIKeyBNDDPBLSRXKDOD-UHFFFAOYSA-N
XLogP70.52
TPSA323.22 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms301
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003904.23
LogP ≤ 570.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile with MolForge

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Related Compounds

4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 157400805
4-[3-[3-(2,4-dimethylphenyl)carbazol-9-yl]-2-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile
CID 159884124
9-[3-isocyano-2-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylcarbazole
CID 159158634
3-carbazol-9-yl-9-[2-[5-(3-carbazol-9-ylcarbazol-9-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 162103210
4-[9-[3-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 160921186
4-[3-(3-tert-butylcarbazol-9-yl)-4-[2-(3-tert-butylcarbazol-9-yl)-5-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[3-(3,6-ditert-butylcarbazol-9-yl)-4-[2-(3,6-ditert-butylcarbazol-9-yl)-5-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[3-(3,6-dimethylcarbazol-9-yl)-4-[2-(3,6-dimethylcarbazol-9-yl)-5-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[5-isocyano-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-(trifluoromethyl)benzonitrile;4-[4-(4-isocyano-2-methylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile;4-[4-[5-isocyano-2-(3-phenylcarbazol-9-yl)phenyl]-3-(3-phenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 159547703
3-tert-butyl-9-[2-[5-(3-tert-butylcarbazol-9-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 161021692
4-[4-[5-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
CID 161094187
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-(trifluoromethyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 160667861
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 158525517
9-[2-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158569258
9-[2-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyanophenyl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole;9-[2-[2-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-isocyanophenyl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[2-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-isocyanophenyl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;3-[3-(3-methylphenyl)carbazol-9-yl]-4-[2-[3-(3-methylphenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4-methylphenyl)carbazol-9-yl]-4-[2-[3-(4-methylphenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 159452024

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile?
The IUPAC name of 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile (CID 157400802) is 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile is [C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2ccc(C#N)cc2C)c1-c1c([N+]#[C-])cccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1cccc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c1-c1c(-c2ccc(C#N)cc2C)cccc1-n1c2ccc(C)cc2c2cc(C(F)(F)F)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(C#N)ccc32)c1-c1c(-c2ccc(C#N)cc2C)cccc1-n1c2ccccc2c2cc(C#N)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-c1c(-c2ccc(C#N)cc2C)cccc1-n1c2ccccc2c2cc(C)ccc21.
What is the InChIKey of 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile?
The InChIKey is BNDDPBLSRXKDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N6.C49H27F9N4.C49H24N8.C47H29F3N4.C47H26N6/c1-43-35-44(42-70)29-32-49(43)45-30-34-65(75-64-28-16-12-24-53(64)59-39-57-51-22-10-14-26-62(51)73(67(57)41-69(59)75)47-19-7-4-8-20-47)55(36-45)54-37-48(31-33-60(54)71-2)74-63-27-15-11-23-52(63)58-38-56-50-21-9-13-25-61(50)72(66(56)40-68(58)74)46-17-5-3-6-18-46;1-26-10-16-39-34(20-26)35-22-29(47(50,51)52)12-17-40(35)61(39)43-8-4-6-33(32-15-11-28(25-59)21-27(32)2)45(43)46-38(60-3)7-5-9-44(46)62-41-18-13-30(48(53,54)55)23-36(41)37-24-31(49(56,57)58)14-19-42(37)62;1-29-20-30(25-50)10-15-35(29)36-6-4-8-46(56-44-18-13-33(28-53)23-39(44)40-24-34(54-2)14-19-45(40)56)48(36)49-41(55-3)7-5-9-47(49)57-42-16-11-31(26-51)21-37(42)38-22-32(27-52)12-17-43(38)57;1-28-18-22-41-36(24-28)33-10-4-6-14-39(33)53(41)43-16-8-12-35(32-21-19-30(27-51)25-29(32)2)45(43)46-38(52-3)13-9-17-44(46)54-40-15-7-5-11-34(40)37-26-31(47(48,49)50)20-23-42(37)54;1-29-23-30(26-48)17-20-33(29)36-11-7-15-44(52-40-13-5-3-9-34(40)37-24-31(27-49)18-21-42(37)52)46(36)47-39(51-2)12-8-16-45(47)53-41-14-6-4-10-35(41)38-25-32(28-50)19-22-43(38)53/h3-41H,1H3;4-24H,1-2H3;4-24H,1H3;4-26H,1-2H3;3-25H,1H3.
What are the key properties of 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile?
4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile has a molecular weight of 3904.23 g/mol, XLogP of 70.52, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile is sourced from PubChem (CID 157400802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).