9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole

C294H146F18N36 — CID 159313885

IUPAC9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2c([N+]#[C-])cccc2C(F)(F)F)c(-n2c3ccc([N+]#[C-])cc3c3cc([N+]#[C-])ccc32)c1[N+]#[C-].[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c([N+]#[C-])cccc2C(F)(F)F)c(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1[N+]#[C-].[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4c([N+]#[C-])cccc4C(F)(F)F)c(-n4c5cc([N+]#[C-])ccc5c5ccc([N+]#[C-])cc54)c3[N+]#[C-])c2c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3c(-c4c([N+]#[C-])cccc4C(F)(F)F)ccc(-n4c5ccccc5c5ccc(C#N)cc54)c3[N+]#[C-])c2c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c([N+]#[C-])c1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c([N+]#[C-])c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/2C63H37F3N4.2C43H17F3N8.2C41H19F3N6/c1-67-54-25-15-24-53(63(64,65)66)60(54)48-30-35-59(69-55-31-26-44(40-16-7-3-8-17-40)36-49(55)50-37-45(27-32-56(50)69)41-18-9-4-10-19-41)61(68-2)62(48)70-57-33-28-46(42-20-11-5-12-21-42)38-51(57)52-39-47(29-34-58(52)70)43-22-13-6-14-23-43;1-67-54-25-15-24-53(63(64,65)66)60(54)52-34-35-55(69-56-36-44(40-16-7-3-8-17-40)26-30-48(56)49-31-27-45(37-57(49)69)41-18-9-4-10-19-41)61(68-2)62(52)70-58-38-46(42-20-11-5-12-21-42)28-32-50(58)51-33-29-47(39-59(51)70)43-22-13-6-14-23-43;1-48-25-10-15-36-30(20-25)29-19-24(23-47)9-14-35(29)53(36)39-18-13-28(40-33(43(44,45)46)7-6-8-34(40)51-4)42(41(39)52-5)54-37-16-11-26(49-2)21-31(37)32-22-27(50-3)12-17-38(32)54;1-48-25-10-14-29-28-13-9-24(23-47)19-36(28)53(37(29)20-25)35-18-17-32(40-33(43(44,45)46)7-6-8-34(40)51-4)42(41(35)52-5)54-38-21-26(49-2)11-15-30(38)31-16-12-27(50-3)22-39(31)54;1-45-24-16-19-35-29(22-24)26-10-5-7-14-33(26)49(35)37-21-18-28(38-31(41(42,43)44)12-9-13-32(38)47-3)40(39(37)48-4)50-34-15-8-6-11-27(34)30-23-25(46-2)17-20-36(30)50;1-46-25-16-18-29-27-10-5-7-14-34(27)50(37(29)22-25)40-30(38-31(41(42,43)44)11-8-12-32(38)47-2)19-20-35(39(40)48-3)49-33-13-6-4-9-26(33)28-17-15-24(23-45)21-36(28)49/h2*3-39H;2*6-22H;5-23H;4-22H
InChIKeyLCWSSWUPPQEPMP-UHFFFAOYSA-N
MW4524.62 g/mol
LogP87.92
Rot. Bonds26

About 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole

9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 159313885) has the molecular formula C294H146F18N36 and a molecular weight of 4524.62 g/mol. Its IUPAC name is 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID159313885
Molecular FormulaC294H146F18N36
Molecular Weight4524.62 g/mol
Exact Mass4521.22
IUPAC Name9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2c([N+]#[C-])cccc2C(F)(F)F)c(-n2c3ccc([N+]#[C-])cc3c3cc([N+]#[C-])ccc32)c1[N+]#[C-].[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c([N+]#[C-])cccc2C(F)(F)F)c(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1[N+]#[C-].[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4c([N+]#[C-])cccc4C(F)(F)F)c(-n4c5cc([N+]#[C-])ccc5c5ccc([N+]#[C-])cc54)c3[N+]#[C-])c2c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3c(-c4c([N+]#[C-])cccc4C(F)(F)F)ccc(-n4c5ccccc5c5ccc(C#N)cc54)c3[N+]#[C-])c2c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c([N+]#[C-])c1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c([N+]#[C-])c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/2C63H37F3N4.2C43H17F3N8.2C41H19F3N6/c1-67-54-25-15-24-53(63(64,65)66)60(54)48-30-35-59(69-55-31-26-44(40-16-7-3-8-17-40)36-49(55)50-37-45(27-32-56(50)69)41-18-9-4-10-19-41)61(68-2)62(48)70-57-33-28-46(42-20-11-5-12-21-42)38-51(57)52-39-47(29-34-58(52)70)43-22-13-6-14-23-43;1-67-54-25-15-24-53(63(64,65)66)60(54)52-34-35-55(69-56-36-44(40-16-7-3-8-17-40)26-30-48(56)49-31-27-45(37-57(49)69)41-18-9-4-10-19-41)61(68-2)62(52)70-58-38-46(42-20-11-5-12-21-42)28-32-50(58)51-33-29-47(39-59(51)70)43-22-13-6-14-23-43;1-48-25-10-15-36-30(20-25)29-19-24(23-47)9-14-35(29)53(36)39-18-13-28(40-33(43(44,45)46)7-6-8-34(40)51-4)42(41(39)52-5)54-37-16-11-26(49-2)21-31(37)32-22-27(50-3)12-17-38(32)54;1-48-25-10-14-29-28-13-9-24(23-47)19-36(28)53(37(29)20-25)35-18-17-32(40-33(43(44,45)46)7-6-8-34(40)51-4)42(41(35)52-5)54-38-21-26(49-2)11-15-30(38)31-16-12-27(50-3)22-39(31)54;1-45-24-16-19-35-29(22-24)26-10-5-7-14-33(26)49(35)37-21-18-28(38-31(41(42,43)44)12-9-13-32(38)47-3)40(39(37)48-4)50-34-15-8-6-11-27(34)30-23-25(46-2)17-20-36(30)50;1-46-25-16-18-29-27-10-5-7-14-34(27)50(37(29)22-25)40-30(38-31(41(42,43)44)11-8-12-32(38)47-2)19-20-35(39(40)48-3)49-33-13-6-4-9-26(33)28-17-15-24(23-45)21-36(28)49/h2*3-39H;2*6-22H;5-23H;4-22H
InChIKeyLCWSSWUPPQEPMP-UHFFFAOYSA-N
XLogP87.92
TPSA222.09 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms348
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004524.62
LogP ≤ 587.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

4-[9-[2-isocyano-3-[2-(4-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 158190682
4-[9-[3-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-isocyano-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-3-isocyanobenzonitrile
CID 157460830
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
3-[9-[3-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-fluoro-6-(trifluoromethyl)phenyl]-2-isocyanophenyl]-7-(3-cyano-5-isocyanophenyl)carbazol-2-yl]-5-isocyanobenzonitrile
CID 153484744
3-[5-[2,6-bis(trifluoromethyl)phenyl]-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 138500021
9-[4-[3-[3-isocyano-2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604697
9-[3-[4-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]phenyl]-6-isocyanocarbazole-2-carbonitrile
CID 155604806
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
9-[2-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyanophenyl]-5-[2-methyl-6-(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-6-(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-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole;3-[3-(2-methylphenyl)carbazol-9-yl]-4-[2-[3-(2-methylphenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(3-methylphenyl)carbazol-9-yl]-4-[2-[3-(3-methylphenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4-methylphenyl)carbazol-9-yl]-4-[2-[3-(4-methylphenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 161437882
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[4-cyano-2-(3-cyano-6-isocyanocarbazol-9-yl)phenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[5-cyano-2-[2-(3-isocyanocarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 162068122
3-[2,6-bis(trifluoromethyl)phenyl]-2,6-bis[2-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146520055
3-[4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138498857

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole (CID 159313885) is 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole is [C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2c([N+]#[C-])cccc2C(F)(F)F)c(-n2c3ccc([N+]#[C-])cc3c3cc([N+]#[C-])ccc32)c1[N+]#[C-].[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2c([N+]#[C-])cccc2C(F)(F)F)c(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1[N+]#[C-].[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4c([N+]#[C-])cccc4C(F)(F)F)c(-n4c5cc([N+]#[C-])ccc5c5ccc([N+]#[C-])cc54)c3[N+]#[C-])c2c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3c(-c4c([N+]#[C-])cccc4C(F)(F)F)ccc(-n4c5ccccc5c5ccc(C#N)cc54)c3[N+]#[C-])c2c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c([N+]#[C-])c1-n1c2cc(-c3ccccc3)ccc2c2ccc(-c3ccccc3)cc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c([N+]#[C-])c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is LCWSSWUPPQEPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H37F3N4.2C43H17F3N8.2C41H19F3N6/c1-67-54-25-15-24-53(63(64,65)66)60(54)48-30-35-59(69-55-31-26-44(40-16-7-3-8-17-40)36-49(55)50-37-45(27-32-56(50)69)41-18-9-4-10-19-41)61(68-2)62(48)70-57-33-28-46(42-20-11-5-12-21-42)38-51(57)52-39-47(29-34-58(52)70)43-22-13-6-14-23-43;1-67-54-25-15-24-53(63(64,65)66)60(54)52-34-35-55(69-56-36-44(40-16-7-3-8-17-40)26-30-48(56)49-31-27-45(37-57(49)69)41-18-9-4-10-19-41)61(68-2)62(52)70-58-38-46(42-20-11-5-12-21-42)28-32-50(58)51-33-29-47(39-59(51)70)43-22-13-6-14-23-43;1-48-25-10-15-36-30(20-25)29-19-24(23-47)9-14-35(29)53(36)39-18-13-28(40-33(43(44,45)46)7-6-8-34(40)51-4)42(41(39)52-5)54-37-16-11-26(49-2)21-31(37)32-22-27(50-3)12-17-38(32)54;1-48-25-10-14-29-28-13-9-24(23-47)19-36(28)53(37(29)20-25)35-18-17-32(40-33(43(44,45)46)7-6-8-34(40)51-4)42(41(35)52-5)54-38-21-26(49-2)11-15-30(38)31-16-12-27(50-3)22-39(31)54;1-45-24-16-19-35-29(22-24)26-10-5-7-14-33(26)49(35)37-21-18-28(38-31(41(42,43)44)12-9-13-32(38)47-3)40(39(37)48-4)50-34-15-8-6-11-27(34)30-23-25(46-2)17-20-36(30)50;1-46-25-16-18-29-27-10-5-7-14-34(27)50(37(29)22-25)40-30(38-31(41(42,43)44)11-8-12-32(38)47-2)19-20-35(39(40)48-3)49-33-13-6-4-9-26(33)28-17-15-24(23-45)21-36(28)49/h2*3-39H;2*6-22H;5-23H;4-22H.
What are the key properties of 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole?
9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 4524.62 g/mol, XLogP of 87.92, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2,7-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-7-isocyanocarbazole-2-carbonitrile;9-[3-(3,6-diisocyanocarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-(2,7-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[3-(3,6-diphenylcarbazol-9-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-isocyano-3-(2-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole-2-carbonitrile;3-isocyano-9-[2-isocyano-3-(3-isocyanocarbazol-9-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 159313885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).