2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile

C252H108F15N39 — CID 159486712

IUPAC2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc([N+]#[C-])c5)ccc43)c2C#N)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5[N+]#[C-])cc(-n5c6cc(-c7cc(C#N)cc([N+]#[C-])c7)ccc6c6ccc(-c7cc([N+]#[C-])cc(C(F)(F)F)c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5[N+]#[C-])cc(-n5c6ccccc6c6ccc(-c7cc(C#N)cc([N+]#[C-])c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])cc(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2C#N)c(C#N)c1
InChIInChI=1S/C71H29F6N11.C71H29F3N12.2C55H25F3N8/c1-82-53-19-39(35-78)16-46(23-53)42-6-11-58-59-12-7-43(47-17-40(36-79)20-54(24-47)83-2)28-65(59)87(64(58)27-42)68-31-50(57-15-10-51(70(72,73)74)34-63(57)86-5)32-69(62(68)38-81)88-66-29-44(48-18-41(37-80)21-55(25-48)84-3)8-13-60(66)61-14-9-45(30-67(61)88)49-22-52(71(75,76)77)33-56(26-49)85-4;1-80-50-13-18-53(48(26-50)38-78)43-9-21-66-58(28-43)60-30-45(55-19-14-51(81-2)34-64(55)84-5)11-23-68(60)86(66)70-32-46(56-17-12-49(71(72,73)74)33-63(56)83-4)31-69(61(70)39-79)85-65-20-8-42(52-15-6-40(35-75)24-47(52)37-77)27-57(65)59-29-44(10-22-67(59)85)54-16-7-41(36-76)25-62(54)82-3;1-62-40-20-32(29-59)18-36(22-40)34-12-16-51-45(24-34)43-8-4-6-10-49(43)65(51)53-26-38(42-15-14-39(55(56,57)58)28-48(42)64-3)27-54(47(53)31-61)66-50-11-7-5-9-44(50)46-25-35(13-17-52(46)66)37-19-33(30-60)21-41(23-37)63-2;1-62-40-20-32(29-59)18-36(22-40)34-12-15-45-43-8-4-6-10-49(43)65(51(45)24-34)53-26-38(42-17-14-39(55(56,57)58)28-48(42)64-3)27-54(47(53)31-61)66-50-11-7-5-9-44(50)46-16-13-35(25-52(46)66)37-19-33(30-60)21-41(23-37)63-2/h6-34H;6-34H;2*4-28H
InChIKeyLXRFFJVZLOFIMV-UHFFFAOYSA-N
MW3966.88 g/mol
LogP70.18
Rot. Bonds24

About 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile

2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 159486712) has the molecular formula C252H108F15N39 and a molecular weight of 3966.88 g/mol. Its IUPAC name is 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID159486712
Molecular FormulaC252H108F15N39
Molecular Weight3966.88 g/mol
Exact Mass3963.94
IUPAC Name2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc([N+]#[C-])c5)ccc43)c2C#N)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5[N+]#[C-])cc(-n5c6cc(-c7cc(C#N)cc([N+]#[C-])c7)ccc6c6ccc(-c7cc([N+]#[C-])cc(C(F)(F)F)c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5[N+]#[C-])cc(-n5c6ccccc6c6ccc(-c7cc(C#N)cc([N+]#[C-])c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])cc(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2C#N)c(C#N)c1
InChIInChI=1S/C71H29F6N11.C71H29F3N12.2C55H25F3N8/c1-82-53-19-39(35-78)16-46(23-53)42-6-11-58-59-12-7-43(47-17-40(36-79)20-54(24-47)83-2)28-65(59)87(64(58)27-42)68-31-50(57-15-10-51(70(72,73)74)34-63(57)86-5)32-69(62(68)38-81)88-66-29-44(48-18-41(37-80)21-55(25-48)84-3)8-13-60(66)61-14-9-45(30-67(61)88)49-22-52(71(75,76)77)33-56(26-49)85-4;1-80-50-13-18-53(48(26-50)38-78)43-9-21-66-58(28-43)60-30-45(55-19-14-51(81-2)34-64(55)84-5)11-23-68(60)86(66)70-32-46(56-17-12-49(71(72,73)74)33-63(56)83-4)31-69(61(70)39-79)85-65-20-8-42(52-15-6-40(35-75)24-47(52)37-77)27-57(65)59-29-44(10-22-67(59)85)54-16-7-41(36-76)25-62(54)82-3;1-62-40-20-32(29-59)18-36(22-40)34-12-16-51-45(24-34)43-8-4-6-10-49(43)65(51)53-26-38(42-15-14-39(55(56,57)58)28-48(42)64-3)27-54(47(53)31-61)66-50-11-7-5-9-44(50)46-25-35(13-17-52(46)66)37-19-33(30-60)21-41(23-37)63-2;1-62-40-20-32(29-59)18-36(22-40)34-12-15-45-43-8-4-6-10-49(43)65(51(45)24-34)53-26-38(42-17-14-39(55(56,57)58)28-48(42)64-3)27-54(47(53)31-61)66-50-11-7-5-9-44(50)46-16-13-35(25-52(46)66)37-19-33(30-60)21-41(23-37)63-2/h6-34H;6-34H;2*4-28H
InChIKeyLXRFFJVZLOFIMV-UHFFFAOYSA-N
XLogP70.18
TPSA466.05 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003966.88
LogP ≤ 570.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 162228469
4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 162228472
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
4-[9-[5-cyano-2-[2-[3-(2,4-diisocyanophenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 157112803
2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 162083468
4-[7-(2-cyano-4-isocyanophenyl)-9-[4-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]-5-isocyanophenyl]carbazol-2-yl]-3-isocyanobenzonitrile
CID 155654233
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
2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-4-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155654203
2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 157257853
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-[9-[2-[4-cyano-2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]phenyl]-4-methylphenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile
CID 158694416
2-[2-(3-cyanophenyl)carbazol-9-yl]-4-[2-cyano-4-(trifluoromethyl)phenyl]-5-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 153302998

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 159486712) is 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is [C-]#[N+]c1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc([N+]#[C-])c5)ccc43)c2C#N)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc([N+]#[C-])c5)cc4n(-c4cc(-c5ccc(C(F)(F)F)cc5[N+]#[C-])cc(-n5c6cc(-c7cc(C#N)cc([N+]#[C-])c7)ccc6c6ccc(-c7cc([N+]#[C-])cc(C(F)(F)F)c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1cc(C#N)cc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5[N+]#[C-])cc(-n5c6ccccc6c6ccc(-c7cc(C#N)cc([N+]#[C-])c7)cc65)c4C#N)c3c2)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2cc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])cc(-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2C#N)c(C#N)c1.
What is the InChIKey of 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is LXRFFJVZLOFIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H29F6N11.C71H29F3N12.2C55H25F3N8/c1-82-53-19-39(35-78)16-46(23-53)42-6-11-58-59-12-7-43(47-17-40(36-79)20-54(24-47)83-2)28-65(59)87(64(58)27-42)68-31-50(57-15-10-51(70(72,73)74)34-63(57)86-5)32-69(62(68)38-81)88-66-29-44(48-18-41(37-80)21-55(25-48)84-3)8-13-60(66)61-14-9-45(30-67(61)88)49-22-52(71(75,76)77)33-56(26-49)85-4;1-80-50-13-18-53(48(26-50)38-78)43-9-21-66-58(28-43)60-30-45(55-19-14-51(81-2)34-64(55)84-5)11-23-68(60)86(66)70-32-46(56-17-12-49(71(72,73)74)33-63(56)83-4)31-69(61(70)39-79)85-65-20-8-42(52-15-6-40(35-75)24-47(52)37-77)27-57(65)59-29-44(10-22-67(59)85)54-16-7-41(36-76)25-62(54)82-3;1-62-40-20-32(29-59)18-36(22-40)34-12-16-51-45(24-34)43-8-4-6-10-49(43)65(51)53-26-38(42-15-14-39(55(56,57)58)28-48(42)64-3)27-54(47(53)31-61)66-50-11-7-5-9-44(50)46-25-35(13-17-52(46)66)37-19-33(30-60)21-41(23-37)63-2;1-62-40-20-32(29-59)18-36(22-40)34-12-15-45-43-8-4-6-10-49(43)65(51(45)24-34)53-26-38(42-17-14-39(55(56,57)58)28-48(42)64-3)27-54(47(53)31-61)66-50-11-7-5-9-44(50)46-16-13-35(25-52(46)66)37-19-33(30-60)21-41(23-37)63-2/h6-34H;6-34H;2*4-28H.
What are the key properties of 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 3966.88 g/mol, XLogP of 70.18, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-6-[2-(3-cyano-5-isocyanophenyl)-7-[3-isocyano-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[2-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[9-[2-cyano-3-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 159486712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).