4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole

C346H174F18N40 — CID 160887427

IUPAC4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c([N+]#[C-])cccc3C(F)(F)F)c([N+]#[C-])cc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc([N+]#[C-])c(-c5c([N+]#[C-])cccc5C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6cccc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc([N+]#[C-])c(-c2c([N+]#[C-])cccc2C(F)(F)F)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc([N+]#[C-])c(-c2c([N+]#[C-])cccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccccc3[N+]#[C-])ccc21.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4[N+]#[C-])cc3n(-c3cc(C#N)c(-c4c([N+]#[C-])cccc4C(F)(F)F)cc3-n3c4cc(-c5ccccc5[N+]#[C-])ccc4c4ccc(-c5ccccc5[N+]#[C-])cc43)c2c1.[C-]#[N+]c1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4c([N+]#[C-])cccc4C(F)(F)F)c([N+]#[C-])cc3-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c2c1
InChIInChI=1S/2C67H33F3N8.4C53H27F3N6/c1-72-55-20-10-6-15-45(55)40-25-29-49-50-30-26-41(46-16-7-11-21-56(46)73-2)34-61(50)77(60(49)33-40)64-37-44(39-71)53(66-54(67(68,69)70)19-14-24-59(66)76-5)38-65(64)78-62-35-42(47-17-8-12-22-57(47)74-3)27-31-51(62)52-32-28-43(36-63(52)78)48-18-9-13-23-58(48)75-4;1-73-56-21-11-9-18-48(56)42-26-30-61-52(34-42)50-32-40(46-16-7-5-14-44(46)38-71)24-28-60(50)77(61)64-36-54(66-55(67(68,69)70)20-13-23-58(66)75-3)59(76-4)37-65(64)78-62-29-25-41(47-17-8-6-15-45(47)39-72)33-51(62)53-35-43(27-31-63(53)78)49-19-10-12-22-57(49)74-2;1-57-42-19-9-5-14-34(42)32-24-26-48-38(28-32)36-16-7-11-22-46(36)61(48)50-30-40(52-41(53(54,55)56)18-13-21-44(52)59-3)45(60-4)31-51(50)62-47-23-12-8-17-37(47)39-29-33(25-27-49(39)62)35-15-6-10-20-43(35)58-2;1-57-36-14-9-12-32(26-36)34-22-24-40-38-16-5-7-20-46(38)61(48(40)28-34)50-30-42(52-43(53(54,55)56)18-11-19-44(52)59-3)45(60-4)31-51(50)62-47-21-8-6-17-39(47)41-25-23-35(29-49(41)62)33-13-10-15-37(27-33)58-2;1-58-37-14-9-13-34(26-37)36-22-24-48-41(28-36)38-15-4-6-19-46(38)61(48)50-29-42(52-43(53(54,55)56)17-10-18-44(52)59-2)45(60-3)30-51(50)62-47-20-7-5-16-39(47)40-27-35(21-23-49(40)62)33-12-8-11-32(25-33)31-57;1-58-43-19-9-6-15-36(43)33-24-26-40-37-16-7-10-21-46(37)61(49(40)28-33)50-29-41(52-42(53(54,55)56)18-12-20-44(52)59-2)45(60-3)30-51(50)62-47-22-11-8-17-38(47)39-25-23-32(27-48(39)62)35-14-5-4-13-34(35)31-57/h6-38H;5-37H;2*5-31H;2*4-30H
InChIKeySNVAWOVIXTXCQO-UHFFFAOYSA-N
MW5233.44 g/mol
LogP102.10
Rot. Bonds34

About 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole

4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole (PubChem CID 160887427) has the molecular formula C346H174F18N40 and a molecular weight of 5233.44 g/mol. Its IUPAC name is 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole.

Molecular Properties

Compound Name4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole
PubChem CID160887427
Molecular FormulaC346H174F18N40
Molecular Weight5233.44 g/mol
Exact Mass5229.46
IUPAC Name4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole
SMILES[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c([N+]#[C-])cccc3C(F)(F)F)c([N+]#[C-])cc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc([N+]#[C-])c(-c5c([N+]#[C-])cccc5C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6cccc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc([N+]#[C-])c(-c2c([N+]#[C-])cccc2C(F)(F)F)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc([N+]#[C-])c(-c2c([N+]#[C-])cccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccccc3[N+]#[C-])ccc21.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4[N+]#[C-])cc3n(-c3cc(C#N)c(-c4c([N+]#[C-])cccc4C(F)(F)F)cc3-n3c4cc(-c5ccccc5[N+]#[C-])ccc4c4ccc(-c5ccccc5[N+]#[C-])cc43)c2c1.[C-]#[N+]c1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4c([N+]#[C-])cccc4C(F)(F)F)c([N+]#[C-])cc3-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c2c1
InChIInChI=1S/2C67H33F3N8.4C53H27F3N6/c1-72-55-20-10-6-15-45(55)40-25-29-49-50-30-26-41(46-16-7-11-21-56(46)73-2)34-61(50)77(60(49)33-40)64-37-44(39-71)53(66-54(67(68,69)70)19-14-24-59(66)76-5)38-65(64)78-62-35-42(47-17-8-12-22-57(47)74-3)27-31-51(62)52-32-28-43(36-63(52)78)48-18-9-13-23-58(48)75-4;1-73-56-21-11-9-18-48(56)42-26-30-61-52(34-42)50-32-40(46-16-7-5-14-44(46)38-71)24-28-60(50)77(61)64-36-54(66-55(67(68,69)70)20-13-23-58(66)75-3)59(76-4)37-65(64)78-62-29-25-41(47-17-8-6-15-45(47)39-72)33-51(62)53-35-43(27-31-63(53)78)49-19-10-12-22-57(49)74-2;1-57-42-19-9-5-14-34(42)32-24-26-48-38(28-32)36-16-7-11-22-46(36)61(48)50-30-40(52-41(53(54,55)56)18-13-21-44(52)59-3)45(60-4)31-51(50)62-47-23-12-8-17-37(47)39-29-33(25-27-49(39)62)35-15-6-10-20-43(35)58-2;1-57-36-14-9-12-32(26-36)34-22-24-40-38-16-5-7-20-46(38)61(48(40)28-34)50-30-42(52-43(53(54,55)56)18-11-19-44(52)59-3)45(60-4)31-51(50)62-47-21-8-6-17-39(47)41-25-23-35(29-49(41)62)33-13-10-15-37(27-33)58-2;1-58-37-14-9-13-34(26-37)36-22-24-48-41(28-36)38-15-4-6-19-46(38)61(48)50-29-42(52-43(53(54,55)56)17-10-18-44(52)59-2)45(60-3)30-51(50)62-47-20-7-5-16-39(47)40-27-35(21-23-49(40)62)33-12-8-11-32(25-33)31-57;1-58-43-19-9-6-15-36(43)33-24-26-40-37-16-7-10-21-46(37)61(49(40)28-33)50-29-41(52-42(53(54,55)56)18-12-20-44(52)59-2)45(60-3)30-51(50)62-47-22-11-8-17-38(47)39-25-23-32(27-48(39)62)35-14-5-4-13-34(35)31-57/h6-38H;5-37H;2*5-31H;2*4-30H
InChIKeySNVAWOVIXTXCQO-UHFFFAOYSA-N
XLogP102.10
TPSA278.39 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms404
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005233.44
LogP ≤ 5102.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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

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Related Compounds

2-[9-[3-(2,6-dimethylphenyl)-2-[2-isocyano-6-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile;3-[9-[3-isocyano-2-[2-[3-(3-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 157141802
2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 158152568
3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 157340547
3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-5-isocyanobenzonitrile
CID 161451516
5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile
CID 161061923
2-[9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 157378710
4-[9-[2-[3-(4-cyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;4-[9-[2-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-7-(4-isocyanophenyl)carbazol-2-yl]benzonitrile;4-[9-[4-isocyano-2-[2-(4-isocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 157114048
4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole
CID 159913250
2-[3-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 157125890
5-[3-(3-cyanophenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]-2-[3-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 153302793
2-[2-(3-cyanophenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]-5-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 153302998
4-(3-cyanophenyl)-2,5-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646695

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole?
The IUPAC name of 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole (CID 160887427) is 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole.
What is the SMILES notation for 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole?
The canonical SMILES for 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole is [C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3c([N+]#[C-])cccc3C(F)(F)F)c([N+]#[C-])cc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc([N+]#[C-])c(-c5c([N+]#[C-])cccc5C(F)(F)F)cc4-n4c5ccccc5c5ccc(-c6cccc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc([N+]#[C-])c(-c2c([N+]#[C-])cccc2C(F)(F)F)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc([N+]#[C-])c(-c2c([N+]#[C-])cccc2C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccccc3[N+]#[C-])ccc21.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4[N+]#[C-])cc3n(-c3cc(C#N)c(-c4c([N+]#[C-])cccc4C(F)(F)F)cc3-n3c4cc(-c5ccccc5[N+]#[C-])ccc4c4ccc(-c5ccccc5[N+]#[C-])cc43)c2c1.[C-]#[N+]c1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4c([N+]#[C-])cccc4C(F)(F)F)c([N+]#[C-])cc3-n3c4ccccc4c4ccc(-c5ccccc5C#N)cc43)c2c1.
What is the InChIKey of 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole?
The InChIKey is SNVAWOVIXTXCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C67H33F3N8.4C53H27F3N6/c1-72-55-20-10-6-15-45(55)40-25-29-49-50-30-26-41(46-16-7-11-21-56(46)73-2)34-61(50)77(60(49)33-40)64-37-44(39-71)53(66-54(67(68,69)70)19-14-24-59(66)76-5)38-65(64)78-62-35-42(47-17-8-12-22-57(47)74-3)27-31-51(62)52-32-28-43(36-63(52)78)48-18-9-13-23-58(48)75-4;1-73-56-21-11-9-18-48(56)42-26-30-61-52(34-42)50-32-40(46-16-7-5-14-44(46)38-71)24-28-60(50)77(61)64-36-54(66-55(67(68,69)70)20-13-23-58(66)75-3)59(76-4)37-65(64)78-62-29-25-41(47-17-8-6-15-45(47)39-72)33-51(62)53-35-43(27-31-63(53)78)49-19-10-12-22-57(49)74-2;1-57-42-19-9-5-14-34(42)32-24-26-48-38(28-32)36-16-7-11-22-46(36)61(48)50-30-40(52-41(53(54,55)56)18-13-21-44(52)59-3)45(60-4)31-51(50)62-47-23-12-8-17-37(47)39-29-33(25-27-49(39)62)35-15-6-10-20-43(35)58-2;1-57-36-14-9-12-32(26-36)34-22-24-40-38-16-5-7-20-46(38)61(48(40)28-34)50-30-42(52-43(53(54,55)56)18-11-19-44(52)59-3)45(60-4)31-51(50)62-47-21-8-6-17-39(47)41-25-23-35(29-49(41)62)33-13-10-15-37(27-33)58-2;1-58-37-14-9-13-34(26-37)36-22-24-48-41(28-36)38-15-4-6-19-46(38)61(48)50-29-42(52-43(53(54,55)56)17-10-18-44(52)59-2)45(60-3)30-51(50)62-47-20-7-5-16-39(47)40-27-35(21-23-49(40)62)33-12-8-11-32(25-33)31-57;1-58-43-19-9-6-15-36(43)33-24-26-40-37-16-7-10-21-46(37)61(49(40)28-33)50-29-41(52-42(53(54,55)56)18-12-20-44(52)59-2)45(60-3)30-51(50)62-47-22-11-8-17-38(47)39-25-23-32(27-48(39)62)35-14-5-4-13-34(35)31-57/h6-38H;5-37H;2*5-31H;2*4-30H.
What are the key properties of 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole?
4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole has a molecular weight of 5233.44 g/mol, XLogP of 102.10, 34 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole is sourced from PubChem (CID 160887427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).