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

C372H203F15N54O2S2 — CID 158988818

IUPAC4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])c(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc([N+]#[C-])cc5C#N)ccc43)c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2)c(C#N)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)ccc2-c2ccc(C)cc2[N+]#[C-])c1
InChIInChI=1S/C77H33F3N12.C65H45F3N16.C61H29F3N8.C57H29F3N4O2.C57H29F3N4S2.C55H38N10/c1-86-54-13-19-59(51(30-54)42-84)47-8-24-72-66(32-47)67-35-49(61-21-15-56(88-3)37-71(61)90-5)11-25-73(67)91(72)57-16-22-62(63-18-12-53(77(78,79)80)36-70(63)89-4)64(38-57)65-29-45(40-82)7-23-74(65)92-75-26-9-46(58-17-6-44(39-81)28-50(58)41-83)33-68(75)69-34-48(10-27-76(69)92)60-20-14-55(87-2)31-52(60)43-85;1-32-71-33(2)76-61(75-32)41-10-19-56-52(25-41)53-26-42(62-77-34(3)72-35(4)78-62)11-20-57(53)83(56)47-15-17-49(48-16-14-46(65(66,67)68)24-45(48)31-70)50(29-47)51-23-40(30-69)9-18-58(51)84-59-21-12-43(63-79-36(5)73-37(6)80-63)27-54(59)55-28-44(13-22-60(55)84)64-81-38(7)74-39(8)82-64;1-68-42-17-21-44(40(28-42)35-67)38-14-24-58-52(29-38)48-8-4-6-10-56(48)71(58)43-18-22-46(47-20-16-41(61(62,63)64)31-55(47)70-3)50(32-43)51-26-36(33-65)13-23-59(51)72-57-11-7-5-9-49(57)53-30-39(15-25-60(53)72)45-19-12-37(34-66)27-54(45)69-2;2*1-62-45-29-33(57(58,59)60)19-21-36(45)35-22-20-34(63-46-14-6-2-12-41(46)53-49(63)26-23-39-37-10-4-8-16-51(37)65-55(39)53)30-43(35)44-28-32(31-61)18-25-48(44)64-47-15-7-3-13-42(47)54-50(64)27-24-40-38-11-5-9-17-52(38)66-56(40)54;1-31-16-21-41(48(26-31)57-7)40-22-20-39(64-49-14-10-8-12-42(49)45-27-36(17-23-51(45)64)54-60-32(2)58-33(3)61-54)30-44(40)47-29-38(56-6)19-25-53(47)65-50-15-11-9-13-43(50)46-28-37(18-24-52(46)65)55-62-34(4)59-35(5)63-55/h6-38H;9-29H,1-8H3;4-32H;2*2-30H;8-30H,1-5H3
InChIKeyJPXHDCNUPRZHPE-UHFFFAOYSA-N
MW5810.20 g/mol
LogP99.11
Rot. Bonds36

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

4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole (PubChem CID 158988818) has the molecular formula C372H203F15N54O2S2 and a molecular weight of 5810.20 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole
PubChem CID158988818
Molecular FormulaC372H203F15N54O2S2
Molecular Weight5810.20 g/mol
Exact Mass5805.66
IUPAC Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])c(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc([N+]#[C-])cc5C#N)ccc43)c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2)c(C#N)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)ccc2-c2ccc(C)cc2[N+]#[C-])c1
InChIInChI=1S/C77H33F3N12.C65H45F3N16.C61H29F3N8.C57H29F3N4O2.C57H29F3N4S2.C55H38N10/c1-86-54-13-19-59(51(30-54)42-84)47-8-24-72-66(32-47)67-35-49(61-21-15-56(88-3)37-71(61)90-5)11-25-73(67)91(72)57-16-22-62(63-18-12-53(77(78,79)80)36-70(63)89-4)64(38-57)65-29-45(40-82)7-23-74(65)92-75-26-9-46(58-17-6-44(39-81)28-50(58)41-83)33-68(75)69-34-48(10-27-76(69)92)60-20-14-55(87-2)31-52(60)43-85;1-32-71-33(2)76-61(75-32)41-10-19-56-52(25-41)53-26-42(62-77-34(3)72-35(4)78-62)11-20-57(53)83(56)47-15-17-49(48-16-14-46(65(66,67)68)24-45(48)31-70)50(29-47)51-23-40(30-69)9-18-58(51)84-59-21-12-43(63-79-36(5)73-37(6)80-63)27-54(59)55-28-44(13-22-60(55)84)64-81-38(7)74-39(8)82-64;1-68-42-17-21-44(40(28-42)35-67)38-14-24-58-52(29-38)48-8-4-6-10-56(48)71(58)43-18-22-46(47-20-16-41(61(62,63)64)31-55(47)70-3)50(32-43)51-26-36(33-65)13-23-59(51)72-57-11-7-5-9-49(57)53-30-39(15-25-60(53)72)45-19-12-37(34-66)27-54(45)69-2;2*1-62-45-29-33(57(58,59)60)19-21-36(45)35-22-20-34(63-46-14-6-2-12-41(46)53-49(63)26-23-39-37-10-4-8-16-51(37)65-55(39)53)30-43(35)44-28-32(31-61)18-25-48(44)64-47-15-7-3-13-42(47)54-50(64)27-24-40-38-11-5-9-17-52(38)66-56(40)54;1-31-16-21-41(48(26-31)57-7)40-22-20-39(64-49-14-10-8-12-42(49)45-27-36(17-23-51(45)64)54-60-32(2)58-33(3)61-54)30-44(40)47-29-38(56-6)19-25-53(47)65-50-15-11-9-13-43(50)46-28-37(18-24-52(46)65)55-62-34(4)59-35(5)63-55/h6-38H;9-29H,1-8H3;4-32H;2*2-30H;8-30H,1-5H3
InChIKeyJPXHDCNUPRZHPE-UHFFFAOYSA-N
XLogP99.11
TPSA655.26 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds36
Heavy Atoms445
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005810.20
LogP ≤ 599.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

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

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Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole?
The IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole (CID 158988818) is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole.
What is the SMILES notation for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole?
The canonical SMILES for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole is Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C#N)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])c(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C#N)cc5C#N)cc4c4cc(-c5ccc([N+]#[C-])cc5C#N)ccc43)c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3[N+]#[C-])c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(-c5ccc(C#N)cc5[N+]#[C-])ccc43)c2)c(C#N)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)ccc2-c2ccc(C)cc2[N+]#[C-])c1.
What is the InChIKey of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole?
The InChIKey is JPXHDCNUPRZHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H33F3N12.C65H45F3N16.C61H29F3N8.C57H29F3N4O2.C57H29F3N4S2.C55H38N10/c1-86-54-13-19-59(51(30-54)42-84)47-8-24-72-66(32-47)67-35-49(61-21-15-56(88-3)37-71(61)90-5)11-25-73(67)91(72)57-16-22-62(63-18-12-53(77(78,79)80)36-70(63)89-4)64(38-57)65-29-45(40-82)7-23-74(65)92-75-26-9-46(58-17-6-44(39-81)28-50(58)41-83)33-68(75)69-34-48(10-27-76(69)92)60-20-14-55(87-2)31-52(60)43-85;1-32-71-33(2)76-61(75-32)41-10-19-56-52(25-41)53-26-42(62-77-34(3)72-35(4)78-62)11-20-57(53)83(56)47-15-17-49(48-16-14-46(65(66,67)68)24-45(48)31-70)50(29-47)51-23-40(30-69)9-18-58(51)84-59-21-12-43(63-79-36(5)73-37(6)80-63)27-54(59)55-28-44(13-22-60(55)84)64-81-38(7)74-39(8)82-64;1-68-42-17-21-44(40(28-42)35-67)38-14-24-58-52(29-38)48-8-4-6-10-56(48)71(58)43-18-22-46(47-20-16-41(61(62,63)64)31-55(47)70-3)50(32-43)51-26-36(33-65)13-23-59(51)72-57-11-7-5-9-49(57)53-30-39(15-25-60(53)72)45-19-12-37(34-66)27-54(45)69-2;2*1-62-45-29-33(57(58,59)60)19-21-36(45)35-22-20-34(63-46-14-6-2-12-41(46)53-49(63)26-23-39-37-10-4-8-16-51(37)65-55(39)53)30-43(35)44-28-32(31-61)18-25-48(44)64-47-15-7-3-13-42(47)54-50(64)27-24-40-38-11-5-9-17-52(38)66-56(40)54;1-31-16-21-41(48(26-31)57-7)40-22-20-39(64-49-14-10-8-12-42(49)45-27-36(17-23-51(45)64)54-60-32(2)58-33(3)61-54)30-44(40)47-29-38(56-6)19-25-53(47)65-50-15-11-9-13-43(50)46-28-37(18-24-52(46)65)55-62-34(4)59-35(5)63-55/h6-38H;9-29H,1-8H3;4-32H;2*2-30H;8-30H,1-5H3.
What are the key properties of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole?
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole has a molecular weight of 5810.20 g/mol, XLogP of 99.11, 36 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-cyano-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[4-cyano-2-[5-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-2-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[5-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(2-isocyano-4-methylphenyl)phenyl]-4-isocyanophenyl]carbazole is sourced from PubChem (CID 158988818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).