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

C414H248F12N60O2S2 — CID 157377533

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole
SMILESCc1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3c(C#N)cccc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C#N)c1.N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1
InChIInChI=1S/C105H64N16.C75H43F3N10.C65H45F3N16.C57H29F3N4O2.C57H29F3N4S2.C55H38N10/c1-65-45-51-81(80(57-65)64-107)74-46-52-91(120-87-53-47-75(102-112-94(66-27-10-2-11-28-66)108-95(113-102)67-29-12-3-13-30-67)59-82(87)83-60-76(48-54-88(83)120)103-114-96(68-31-14-4-15-32-68)109-97(115-103)69-33-16-5-17-34-69)86(58-74)93-79(63-106)43-26-44-92(93)121-89-55-49-77(104-116-98(70-35-18-6-19-36-70)110-99(117-104)71-37-20-7-21-38-71)61-84(89)85-62-78(50-56-90(85)121)105-118-100(72-39-22-8-23-40-72)111-101(119-105)73-41-24-9-25-42-73;76-75(77,78)55-35-36-56(54(40-55)45-80)50-32-37-66(87-62-29-15-13-27-57(62)59-42-51(33-38-64(59)87)73-83-69(46-18-5-1-6-19-46)81-70(84-73)47-20-7-2-8-21-47)61(41-50)68-53(44-79)26-17-31-67(68)88-63-30-16-14-28-58(63)60-43-52(34-39-65(60)88)74-85-71(48-22-9-3-10-23-48)82-72(86-74)49-24-11-4-12-25-49;1-32-71-33(2)76-61(75-32)41-15-22-54-47(27-41)48-28-42(62-77-34(3)72-35(4)78-62)16-23-55(48)83(54)58-21-14-40(46-20-19-45(65(66,67)68)31-53(46)70-10)26-51(58)60-52(69-9)12-11-13-59(60)84-56-24-17-43(63-79-36(5)73-37(6)80-63)29-49(56)50-30-44(18-25-57(50)84)64-81-38(7)74-39(8)82-64;2*1-61-42-16-11-19-47(64-45-18-8-4-15-40(45)54-49(64)29-26-38-36-13-6-10-21-51(36)66-56(38)54)52(42)41-30-32(34-24-23-33(57(58,59)60)31-43(34)62-2)22-27-46(41)63-44-17-7-3-14-39(44)53-48(63)28-25-37-35-12-5-9-20-50(35)65-55(37)53;1-31-19-23-39(46(27-31)57-7)36-20-24-51(64-47-16-10-8-13-40(47)42-29-37(21-25-49(42)64)54-60-32(2)58-33(3)61-54)44(28-36)53-45(56-6)15-12-18-52(53)65-48-17-11-9-14-41(48)43-30-38(22-26-50(43)65)55-62-34(4)59-35(5)63-55/h2-62H,1H3;1-43H;11-31H,1-8H3;2*3-31H;8-30H,1-5H3
InChIKeyBKMLQQBJVCGTOG-UHFFFAOYSA-N
MW6387.07 g/mol
LogP106.34
Rot. Bonds48

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

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole (PubChem CID 157377533) has the molecular formula C414H248F12N60O2S2 and a molecular weight of 6387.07 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole
PubChem CID157377533
Molecular FormulaC414H248F12N60O2S2
Molecular Weight6387.07 g/mol
Exact Mass6382.04
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole
SMILESCc1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3c(C#N)cccc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C#N)c1.N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1
InChIInChI=1S/C105H64N16.C75H43F3N10.C65H45F3N16.C57H29F3N4O2.C57H29F3N4S2.C55H38N10/c1-65-45-51-81(80(57-65)64-107)74-46-52-91(120-87-53-47-75(102-112-94(66-27-10-2-11-28-66)108-95(113-102)67-29-12-3-13-30-67)59-82(87)83-60-76(48-54-88(83)120)103-114-96(68-31-14-4-15-32-68)109-97(115-103)69-33-16-5-17-34-69)86(58-74)93-79(63-106)43-26-44-92(93)121-89-55-49-77(104-116-98(70-35-18-6-19-36-70)110-99(117-104)71-37-20-7-21-38-71)61-84(89)85-62-78(50-56-90(85)121)105-118-100(72-39-22-8-23-40-72)111-101(119-105)73-41-24-9-25-42-73;76-75(77,78)55-35-36-56(54(40-55)45-80)50-32-37-66(87-62-29-15-13-27-57(62)59-42-51(33-38-64(59)87)73-83-69(46-18-5-1-6-19-46)81-70(84-73)47-20-7-2-8-21-47)61(41-50)68-53(44-79)26-17-31-67(68)88-63-30-16-14-28-58(63)60-43-52(34-39-65(60)88)74-85-71(48-22-9-3-10-23-48)82-72(86-74)49-24-11-4-12-25-49;1-32-71-33(2)76-61(75-32)41-15-22-54-47(27-41)48-28-42(62-77-34(3)72-35(4)78-62)16-23-55(48)83(54)58-21-14-40(46-20-19-45(65(66,67)68)31-53(46)70-10)26-51(58)60-52(69-9)12-11-13-59(60)84-56-24-17-43(63-79-36(5)73-37(6)80-63)29-49(56)50-30-44(18-25-57(50)84)64-81-38(7)74-39(8)82-64;2*1-61-42-16-11-19-47(64-45-18-8-4-15-40(45)54-49(64)29-26-38-36-13-6-10-21-51(36)66-56(38)54)52(42)41-30-32(34-24-23-33(57(58,59)60)31-43(34)62-2)22-27-46(41)63-44-17-7-3-14-39(44)53-48(63)28-25-37-35-12-5-9-20-50(35)65-55(37)53;1-31-19-23-39(46(27-31)57-7)36-20-24-51(64-47-16-10-8-13-40(47)42-29-37(21-25-49(42)64)54-60-32(2)58-33(3)61-54)44(28-36)53-45(56-6)15-12-18-52(53)65-48-17-11-9-14-41(48)43-30-38(22-26-50(43)65)55-62-34(4)59-35(5)63-55/h2-62H,1H3;1-43H;11-31H,1-8H3;2*3-31H;8-30H,1-5H3
InChIKeyBKMLQQBJVCGTOG-UHFFFAOYSA-N
XLogP106.34
TPSA679.52 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds48
Heavy Atoms490
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006387.07
LogP ≤ 5106.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

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

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What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole (CID 157377533) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole is Cc1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3c(C#N)cccc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C#N)c1.N#Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2c(C#N)cccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1cc(C)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2c([N+]#[C-])cccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole?
The InChIKey is BKMLQQBJVCGTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H64N16.C75H43F3N10.C65H45F3N16.C57H29F3N4O2.C57H29F3N4S2.C55H38N10/c1-65-45-51-81(80(57-65)64-107)74-46-52-91(120-87-53-47-75(102-112-94(66-27-10-2-11-28-66)108-95(113-102)67-29-12-3-13-30-67)59-82(87)83-60-76(48-54-88(83)120)103-114-96(68-31-14-4-15-32-68)109-97(115-103)69-33-16-5-17-34-69)86(58-74)93-79(63-106)43-26-44-92(93)121-89-55-49-77(104-116-98(70-35-18-6-19-36-70)110-99(117-104)71-37-20-7-21-38-71)61-84(89)85-62-78(50-56-90(85)121)105-118-100(72-39-22-8-23-40-72)111-101(119-105)73-41-24-9-25-42-73;76-75(77,78)55-35-36-56(54(40-55)45-80)50-32-37-66(87-62-29-15-13-27-57(62)59-42-51(33-38-64(59)87)73-83-69(46-18-5-1-6-19-46)81-70(84-73)47-20-7-2-8-21-47)61(41-50)68-53(44-79)26-17-31-67(68)88-63-30-16-14-28-58(63)60-43-52(34-39-65(60)88)74-85-71(48-22-9-3-10-23-48)82-72(86-74)49-24-11-4-12-25-49;1-32-71-33(2)76-61(75-32)41-15-22-54-47(27-41)48-28-42(62-77-34(3)72-35(4)78-62)16-23-55(48)83(54)58-21-14-40(46-20-19-45(65(66,67)68)31-53(46)70-10)26-51(58)60-52(69-9)12-11-13-59(60)84-56-24-17-43(63-79-36(5)73-37(6)80-63)29-49(56)50-30-44(18-25-57(50)84)64-81-38(7)74-39(8)82-64;2*1-61-42-16-11-19-47(64-45-18-8-4-15-40(45)54-49(64)29-26-38-36-13-6-10-21-51(36)66-56(38)54)52(42)41-30-32(34-24-23-33(57(58,59)60)31-43(34)62-2)22-27-46(41)63-44-17-7-3-14-39(44)53-48(63)28-25-37-35-12-5-9-20-50(35)65-55(37)53;1-31-19-23-39(46(27-31)57-7)36-20-24-51(64-47-16-10-8-13-40(47)42-29-37(21-25-49(42)64)54-60-32(2)58-33(3)61-54)44(28-36)53-45(56-6)15-12-18-52(53)65-48-17-11-9-14-41(48)43-30-38(22-26-50(43)65)55-62-34(4)59-35(5)63-55/h2-62H,1H3;1-43H;11-31H,1-8H3;2*3-31H;8-30H,1-5H3.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole has a molecular weight of 6387.07 g/mol, XLogP of 106.34, 48 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]-4-[2-isocyano-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-cyano-4-methylphenyl)phenyl]benzonitrile;2-[5-[2-cyano-4-(trifluoromethyl)phenyl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2-isocyano-4-methylphenyl)phenyl]-3-isocyanophenyl]carbazole is sourced from PubChem (CID 157377533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).