3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile

C414H266F12N54O2S2 — CID 159717294

IUPAC3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.Cc1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3ccc(C#N)cc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C)c1.Cc1ccc(-c2ccc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(-c3ccc(C#N)cc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)c(C)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C)cc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1
InChIInChI=1S/C105H67N15.C75H46F3N9.C65H51N15.C57H32F3N3O2.C57H32F3N3S2.C55H38F3N9/c1-65-43-50-81(66(2)57-65)76-45-52-88(119-89-53-46-77(102-111-94(68-27-11-3-12-28-68)107-95(112-102)69-29-13-4-14-30-69)60-84(89)85-61-78(47-54-90(85)119)103-113-96(70-31-15-5-16-32-70)108-97(114-103)71-33-17-6-18-34-71)83(59-76)82-51-44-67(64-106)58-93(82)120-91-55-48-79(104-115-98(72-35-19-7-20-36-72)109-99(116-104)73-37-21-8-22-38-73)62-86(91)87-63-80(49-56-92(87)120)105-117-100(74-39-23-9-24-40-74)110-101(118-105)75-41-25-10-26-42-75;1-46-40-55(75(76,77)78)34-36-56(46)52-31-37-65(86-63-28-16-14-26-57(63)61-43-53(32-38-66(61)86)73-82-69(48-18-6-2-7-19-48)80-70(83-73)49-20-8-3-9-21-49)60(42-52)59-35-30-47(45-79)41-68(59)87-64-29-17-15-27-58(64)62-44-54(33-39-67(62)87)74-84-71(50-22-10-4-11-23-50)81-72(85-74)51-24-12-5-13-25-51;1-33-11-18-49(34(2)25-33)44-13-20-56(79-57-21-14-45(62-71-35(3)67-36(4)72-62)28-52(57)53-29-46(15-22-58(53)79)63-73-37(5)68-38(6)74-63)51(27-44)50-19-12-43(32-66)26-61(50)80-59-23-16-47(64-75-39(7)69-40(8)76-64)30-54(59)55-31-48(17-24-60(55)80)65-77-41(9)70-42(10)78-65;2*1-32-28-35(57(58,59)60)20-22-36(32)34-19-25-47(62-45-14-6-2-12-42(45)53-48(62)26-23-40-38-10-4-8-16-51(38)64-55(40)53)44(30-34)37-21-18-33(31-61)29-50(37)63-46-15-7-3-13-43(46)54-49(63)27-24-41-39-11-5-9-17-52(39)65-56(41)54;1-30-24-39(55(56,57)58)18-20-40(30)36-15-21-49(66-47-12-8-6-10-41(47)45-27-37(16-22-50(45)66)53-62-31(2)60-32(3)63-53)44(26-36)43-19-14-35(29-59)25-52(43)67-48-13-9-7-11-42(48)46-28-38(17-23-51(46)67)54-64-33(4)61-34(5)65-54/h3-63H,1-2H3;2-44H,1H3;11-31H,1-10H3;2*2-30H,1H3;6-28H,1-5H3
InChIKeyMZPCHPXMVSHNGQ-UHFFFAOYSA-N
MW6321.17 g/mol
LogP103.53
Rot. Bonds48

About 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile

3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile (PubChem CID 159717294) has the molecular formula C414H266F12N54O2S2 and a molecular weight of 6321.17 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
PubChem CID159717294
Molecular FormulaC414H266F12N54O2S2
Molecular Weight6321.17 g/mol
Exact Mass6316.16
IUPAC Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.Cc1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3ccc(C#N)cc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C)c1.Cc1ccc(-c2ccc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(-c3ccc(C#N)cc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)c(C)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C)cc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1
InChIInChI=1S/C105H67N15.C75H46F3N9.C65H51N15.C57H32F3N3O2.C57H32F3N3S2.C55H38F3N9/c1-65-43-50-81(66(2)57-65)76-45-52-88(119-89-53-46-77(102-111-94(68-27-11-3-12-28-68)107-95(112-102)69-29-13-4-14-30-69)60-84(89)85-61-78(47-54-90(85)119)103-113-96(70-31-15-5-16-32-70)108-97(114-103)71-33-17-6-18-34-71)83(59-76)82-51-44-67(64-106)58-93(82)120-91-55-48-79(104-115-98(72-35-19-7-20-36-72)109-99(116-104)73-37-21-8-22-38-73)62-86(91)87-63-80(49-56-92(87)120)105-117-100(74-39-23-9-24-40-74)110-101(118-105)75-41-25-10-26-42-75;1-46-40-55(75(76,77)78)34-36-56(46)52-31-37-65(86-63-28-16-14-26-57(63)61-43-53(32-38-66(61)86)73-82-69(48-18-6-2-7-19-48)80-70(83-73)49-20-8-3-9-21-49)60(42-52)59-35-30-47(45-79)41-68(59)87-64-29-17-15-27-58(64)62-44-54(33-39-67(62)87)74-84-71(50-22-10-4-11-23-50)81-72(85-74)51-24-12-5-13-25-51;1-33-11-18-49(34(2)25-33)44-13-20-56(79-57-21-14-45(62-71-35(3)67-36(4)72-62)28-52(57)53-29-46(15-22-58(53)79)63-73-37(5)68-38(6)74-63)51(27-44)50-19-12-43(32-66)26-61(50)80-59-23-16-47(64-75-39(7)69-40(8)76-64)30-54(59)55-31-48(17-24-60(55)80)65-77-41(9)70-42(10)78-65;2*1-32-28-35(57(58,59)60)20-22-36(32)34-19-25-47(62-45-14-6-2-12-42(45)53-48(62)26-23-40-38-10-4-8-16-51(38)64-55(40)53)44(30-34)37-21-18-33(31-61)29-50(37)63-46-15-7-3-13-43(46)54-49(63)27-24-41-39-11-5-9-17-52(39)65-56(41)54;1-30-24-39(55(56,57)58)18-20-40(30)36-15-21-49(66-47-12-8-6-10-41(47)45-27-37(16-22-50(45)66)53-62-31(2)60-32(3)63-53)44(26-36)43-19-14-35(29-59)25-52(43)67-48-13-9-7-11-42(48)46-28-38(17-23-51(46)67)54-64-33(4)61-34(5)65-54/h3-63H,1-2H3;2-44H,1H3;11-31H,1-10H3;2*2-30H,1H3;6-28H,1-5H3
InChIKeyMZPCHPXMVSHNGQ-UHFFFAOYSA-N
XLogP103.53
TPSA692.22 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds48
Heavy Atoms484
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006321.17
LogP ≤ 5103.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

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

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What is the IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile (CID 159717294) is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile is Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.Cc1cc(C(F)(F)F)ccc1-c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.Cc1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3ccc(C#N)cc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C)c1.Cc1ccc(-c2ccc(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(-c3ccc(C#N)cc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)c(C)c1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C)cc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.
What is the InChIKey of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The InChIKey is MZPCHPXMVSHNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H67N15.C75H46F3N9.C65H51N15.C57H32F3N3O2.C57H32F3N3S2.C55H38F3N9/c1-65-43-50-81(66(2)57-65)76-45-52-88(119-89-53-46-77(102-111-94(68-27-11-3-12-28-68)107-95(112-102)69-29-13-4-14-30-69)60-84(89)85-61-78(47-54-90(85)119)103-113-96(70-31-15-5-16-32-70)108-97(114-103)71-33-17-6-18-34-71)83(59-76)82-51-44-67(64-106)58-93(82)120-91-55-48-79(104-115-98(72-35-19-7-20-36-72)109-99(116-104)73-37-21-8-22-38-73)62-86(91)87-63-80(49-56-92(87)120)105-117-100(74-39-23-9-24-40-74)110-101(118-105)75-41-25-10-26-42-75;1-46-40-55(75(76,77)78)34-36-56(46)52-31-37-65(86-63-28-16-14-26-57(63)61-43-53(32-38-66(61)86)73-82-69(48-18-6-2-7-19-48)80-70(83-73)49-20-8-3-9-21-49)60(42-52)59-35-30-47(45-79)41-68(59)87-64-29-17-15-27-58(64)62-44-54(33-39-67(62)87)74-84-71(50-22-10-4-11-23-50)81-72(85-74)51-24-12-5-13-25-51;1-33-11-18-49(34(2)25-33)44-13-20-56(79-57-21-14-45(62-71-35(3)67-36(4)72-62)28-52(57)53-29-46(15-22-58(53)79)63-73-37(5)68-38(6)74-63)51(27-44)50-19-12-43(32-66)26-61(50)80-59-23-16-47(64-75-39(7)69-40(8)76-64)30-54(59)55-31-48(17-24-60(55)80)65-77-41(9)70-42(10)78-65;2*1-32-28-35(57(58,59)60)20-22-36(32)34-19-25-47(62-45-14-6-2-12-42(45)53-48(62)26-23-40-38-10-4-8-16-51(38)64-55(40)53)44(30-34)37-21-18-33(31-61)29-50(37)63-46-15-7-3-13-43(46)54-49(63)27-24-41-39-11-5-9-17-52(39)65-56(41)54;1-30-24-39(55(56,57)58)18-20-40(30)36-15-21-49(66-47-12-8-6-10-41(47)45-27-37(16-22-50(45)66)53-62-31(2)60-32(3)63-53)44(26-36)43-19-14-35(29-59)25-52(43)67-48-13-9-7-11-42(48)46-28-38(17-23-51(46)67)54-64-33(4)61-34(5)65-54/h3-63H,1-2H3;2-44H,1H3;11-31H,1-10H3;2*2-30H,1H3;6-28H,1-5H3.
What are the key properties of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile?
3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile has a molecular weight of 6321.17 g/mol, XLogP of 103.53, 48 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(2,4-dimethylphenyl)phenyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 159717294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).