3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile

C254H145F6N43O2 — CID 158710456

IUPAC3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2-c2c(C#N)cccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C(F)(F)F)c1.[C-]#[N+]c1cc(C#N)ccc1-c1cccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2cc(-c3nc(C)nc(C)n3)ccc21.[C-]#[N+]c1ccc(-c2cccc(-n3c4ccc(-c5ccc([N+]#[C-])cc5C#N)cc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2-c2c([N+]#[C-])cccc2-n2c3ccc(-c4ccc(C#N)cc4[N+]#[C-])cc3c3cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc32)c(C)c1.[C-]#[N+]c1ccc(-c2cccc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2c(C#N)cccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C77H36N12.C65H45F3N16.C57H29F3N4O2.C55H35N11/c1-45-33-53(81-2)21-26-56(45)61-11-9-13-74(88-70-29-17-48(57-27-22-54(82-3)36-52(57)44-80)37-62(70)63-38-49(18-30-71(63)88)58-24-15-46(42-78)34-67(58)85-6)76(61)77-66(84-5)12-10-14-75(77)89-72-31-19-50(59-25-16-47(43-79)35-68(59)86-7)39-64(72)65-40-51(20-32-73(65)89)60-28-23-55(83-4)41-69(60)87-8;1-32-71-33(2)76-61(75-32)40-16-22-53-48(26-40)49-27-41(62-77-34(3)72-35(4)78-62)17-23-54(49)83(53)57-14-10-12-44(31-69)59(57)60-47(46-21-20-45(70-9)30-52(46)65(66,67)68)13-11-15-58(60)84-55-24-18-42(63-79-36(5)73-37(6)80-63)28-50(55)51-29-43(19-25-56(51)84)64-81-38(7)74-39(8)82-64;58-57(59,60)42-29-32(30-61)23-24-34(42)37-16-10-20-46(64-44-18-6-2-15-41(44)54-48(64)28-26-39-36-13-4-8-22-50(36)66-56(39)54)52(37)51-33(31-62)11-9-19-45(51)63-43-17-5-1-14-40(43)53-47(63)27-25-38-35-12-3-7-21-49(35)65-55(38)53;1-31-59-32(2)62-54(61-31)36-22-25-48-42(28-36)39-13-7-9-17-46(39)65(48)50-19-11-15-41(38-24-21-35(30-56)27-45(38)58-6)52(50)53-44(57-5)16-12-20-51(53)66-47-18-10-8-14-40(47)43-29-37(23-26-49(43)66)55-63-33(3)60-34(4)64-55/h9-41H,1H3;10-30H,1-8H3;1-29H;7-29H,1-4H3
InChIKeyIIQMAPPWUKJNQZ-UHFFFAOYSA-N
MW3945.24 g/mol
LogP65.09
Rot. Bonds26

About 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile

3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile (PubChem CID 158710456) has the molecular formula C254H145F6N43O2 and a molecular weight of 3945.24 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile
PubChem CID158710456
Molecular FormulaC254H145F6N43O2
Molecular Weight3945.24 g/mol
Exact Mass3942.25
IUPAC Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile
SMILESN#Cc1ccc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2-c2c(C#N)cccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C(F)(F)F)c1.[C-]#[N+]c1cc(C#N)ccc1-c1cccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2cc(-c3nc(C)nc(C)n3)ccc21.[C-]#[N+]c1ccc(-c2cccc(-n3c4ccc(-c5ccc([N+]#[C-])cc5C#N)cc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2-c2c([N+]#[C-])cccc2-n2c3ccc(-c4ccc(C#N)cc4[N+]#[C-])cc3c3cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc32)c(C)c1.[C-]#[N+]c1ccc(-c2cccc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2c(C#N)cccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(C(F)(F)F)c1
InChIInChI=1S/C77H36N12.C65H45F3N16.C57H29F3N4O2.C55H35N11/c1-45-33-53(81-2)21-26-56(45)61-11-9-13-74(88-70-29-17-48(57-27-22-54(82-3)36-52(57)44-80)37-62(70)63-38-49(18-30-71(63)88)58-24-15-46(42-78)34-67(58)85-6)76(61)77-66(84-5)12-10-14-75(77)89-72-31-19-50(59-25-16-47(43-79)35-68(59)86-7)39-64(72)65-40-51(20-32-73(65)89)60-28-23-55(83-4)41-69(60)87-8;1-32-71-33(2)76-61(75-32)40-16-22-53-48(26-40)49-27-41(62-77-34(3)72-35(4)78-62)17-23-54(49)83(53)57-14-10-12-44(31-69)59(57)60-47(46-21-20-45(70-9)30-52(46)65(66,67)68)13-11-15-58(60)84-55-24-18-42(63-79-36(5)73-37(6)80-63)28-50(55)51-29-43(19-25-56(51)84)64-81-38(7)74-39(8)82-64;58-57(59,60)42-29-32(30-61)23-24-34(42)37-16-10-20-46(64-44-18-6-2-15-41(44)54-48(64)28-26-39-36-13-4-8-22-50(36)66-56(39)54)52(37)51-33(31-62)11-9-19-45(51)63-43-17-5-1-14-40(43)53-47(63)27-25-38-35-12-3-7-21-49(35)65-55(38)53;1-31-59-32(2)62-54(61-31)36-22-25-48-42(28-36)39-13-7-9-17-46(39)65(48)50-19-11-15-41(38-24-21-35(30-56)27-45(38)58-6)52(50)53-44(57-5)16-12-20-51(53)66-47-18-10-8-14-40(47)43-29-37(23-26-49(43)66)55-63-33(3)60-34(4)64-55/h9-41H,1H3;10-30H,1-8H3;1-29H;7-29H,1-4H3
InChIKeyIIQMAPPWUKJNQZ-UHFFFAOYSA-N
XLogP65.09
TPSA507.87 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms305
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003945.24
LogP ≤ 565.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile with MolForge

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Related Compounds

3-[9-[4,6-Bis(6-fluorodibenzofuran-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276724
4,7-Bis(10-tert-butyl-[1]benzofuro[2,3-b]carbazol-7-yl)-1,1,3,3-tetrafluoro-2-benzofuran-5,6-dicarbonitrile
CID 122609757
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 134287687
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295576
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 134473301
2,6-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386459
2,6-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137393102
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498846
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498884
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499092
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499096
3-[5-[3-[4-[[5-[3-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499324

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile?
The IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile (CID 158710456) is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile.
What is the SMILES notation for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile?
The canonical SMILES for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile is N#Cc1ccc(-c2cccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2-c2c(C#N)cccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C(F)(F)F)c1.[C-]#[N+]c1cc(C#N)ccc1-c1cccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1-c1c([N+]#[C-])cccc1-n1c2ccccc2c2cc(-c3nc(C)nc(C)n3)ccc21.[C-]#[N+]c1ccc(-c2cccc(-n3c4ccc(-c5ccc([N+]#[C-])cc5C#N)cc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2-c2c([N+]#[C-])cccc2-n2c3ccc(-c4ccc(C#N)cc4[N+]#[C-])cc3c3cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc32)c(C)c1.[C-]#[N+]c1ccc(-c2cccc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2-c2c(C#N)cccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(C(F)(F)F)c1.
What is the InChIKey of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile?
The InChIKey is IIQMAPPWUKJNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H36N12.C65H45F3N16.C57H29F3N4O2.C55H35N11/c1-45-33-53(81-2)21-26-56(45)61-11-9-13-74(88-70-29-17-48(57-27-22-54(82-3)36-52(57)44-80)37-62(70)63-38-49(18-30-71(63)88)58-24-15-46(42-78)34-67(58)85-6)76(61)77-66(84-5)12-10-14-75(77)89-72-31-19-50(59-25-16-47(43-79)35-68(59)86-7)39-64(72)65-40-51(20-32-73(65)89)60-28-23-55(83-4)41-69(60)87-8;1-32-71-33(2)76-61(75-32)40-16-22-53-48(26-40)49-27-41(62-77-34(3)72-35(4)78-62)17-23-54(49)83(53)57-14-10-12-44(31-69)59(57)60-47(46-21-20-45(70-9)30-52(46)65(66,67)68)13-11-15-58(60)84-55-24-18-42(63-79-36(5)73-37(6)80-63)28-50(55)51-29-43(19-25-56(51)84)64-81-38(7)74-39(8)82-64;58-57(59,60)42-29-32(30-61)23-24-34(42)37-16-10-20-46(64-44-18-6-2-15-41(44)54-48(64)28-26-39-36-13-4-8-22-50(36)66-56(39)54)52(37)51-33(31-62)11-9-19-45(51)63-43-17-5-1-14-40(43)53-47(63)27-25-38-35-12-3-7-21-49(35)65-55(38)53;1-31-59-32(2)62-54(61-31)36-22-25-48-42(28-36)39-13-7-9-17-46(39)65(48)50-19-11-15-41(38-24-21-35(30-56)27-45(38)58-6)52(50)53-44(57-5)16-12-20-51(53)66-47-18-10-8-14-40(47)43-29-37(23-26-49(43)66)55-63-33(3)60-34(4)64-55/h9-41H,1H3;10-30H,1-8H3;1-29H;7-29H,1-4H3.
What are the key properties of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile?
3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile has a molecular weight of 3945.24 g/mol, XLogP of 65.09, 26 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[4-cyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[6-(2-cyano-4-isocyanophenyl)-9-[2-[2-[3-(4-cyano-2-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-3-(4-isocyano-2-methylphenyl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-isocyanobenzonitrile is sourced from PubChem (CID 158710456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).