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

C282H176F18N42O2 — CID 159166338

IUPAC4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESN#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C)ccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C)ccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1
InChIInChI=1S/C105H64F3N15.C65H45F6N15.C57H29F6N3O2.C55H38F3N9/c1-64-57-78(105(106,107)108)48-50-80(64)73-43-51-87(122-88-52-44-74(101-114-93(65-27-11-3-12-28-65)110-94(115-101)66-29-13-4-14-30-66)59-82(88)83-60-75(45-53-89(83)122)102-116-95(67-31-15-5-16-32-67)111-96(117-102)68-33-17-6-18-34-68)81(58-73)86-63-79(109-2)49-56-92(86)123-90-54-46-76(103-118-97(69-35-19-7-20-36-69)112-98(119-103)70-37-21-8-22-38-70)61-84(90)85-62-77(47-55-91(85)123)104-120-99(71-39-23-9-24-40-71)113-100(121-104)72-41-25-10-26-42-72;1-31-73-32(2)78-60(77-31)40-11-19-55-48(25-40)49-26-41(61-79-33(3)74-34(4)80-61)12-20-56(49)85(55)54-18-10-39(46-17-15-44(64(66,67)68)29-53(46)65(69,70)71)24-47(54)52-30-45(72-9)16-23-59(52)86-57-21-13-42(62-81-35(5)75-36(6)82-62)27-50(57)51-28-43(14-22-58(51)86)63-83-37(7)76-38(8)84-63;58-56(59,60)33-19-20-34(43(29-33)57(61,62)63)32-18-24-47(66-45-14-6-2-12-40(45)53-49(66)26-22-38-36-10-4-8-16-51(36)68-55(38)53)42(28-32)41-27-31(30-64)17-23-46(41)65-44-13-5-1-11-39(44)52-48(65)25-21-37-35-9-3-7-15-50(35)67-54(37)52;1-30-25-38(55(56,57)58)18-20-40(30)35-15-21-51(66-47-13-9-7-11-41(47)43-27-36(16-22-49(43)66)53-62-31(2)60-32(3)63-53)45(26-35)46-29-39(59-6)19-24-52(46)67-48-14-10-8-12-42(48)44-28-37(17-23-50(44)67)54-64-33(4)61-34(5)65-54/h3-63H,1H3;10-30H,1-8H3;1-29H;7-29H,1-5H3
InChIKeyKLCRRFDAPJURFE-UHFFFAOYSA-N
MW4526.77 g/mol
LogP72.47
Rot. Bonds34

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

4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 159166338) has the molecular formula C282H176F18N42O2 and a molecular weight of 4526.77 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID159166338
Molecular FormulaC282H176F18N42O2
Molecular Weight4526.77 g/mol
Exact Mass4523.47
IUPAC Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESN#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C)ccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C)ccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1
InChIInChI=1S/C105H64F3N15.C65H45F6N15.C57H29F6N3O2.C55H38F3N9/c1-64-57-78(105(106,107)108)48-50-80(64)73-43-51-87(122-88-52-44-74(101-114-93(65-27-11-3-12-28-65)110-94(115-101)66-29-13-4-14-30-66)59-82(88)83-60-75(45-53-89(83)122)102-116-95(67-31-15-5-16-32-67)111-96(117-102)68-33-17-6-18-34-68)81(58-73)86-63-79(109-2)49-56-92(86)123-90-54-46-76(103-118-97(69-35-19-7-20-36-69)112-98(119-103)70-37-21-8-22-38-70)61-84(90)85-62-77(47-55-91(85)123)104-120-99(71-39-23-9-24-40-71)113-100(121-104)72-41-25-10-26-42-72;1-31-73-32(2)78-60(77-31)40-11-19-55-48(25-40)49-26-41(61-79-33(3)74-34(4)80-61)12-20-56(49)85(55)54-18-10-39(46-17-15-44(64(66,67)68)29-53(46)65(69,70)71)24-47(54)52-30-45(72-9)16-23-59(52)86-57-21-13-42(62-81-35(5)75-36(6)82-62)27-50(57)51-28-43(14-22-58(51)86)63-83-37(7)76-38(8)84-63;58-56(59,60)33-19-20-34(43(29-33)57(61,62)63)32-18-24-47(66-45-14-6-2-12-40(45)53-49(66)26-22-38-36-10-4-8-16-51(36)68-55(38)53)42(28-32)41-27-31(30-64)17-23-46(41)65-44-13-5-1-11-39(44)52-48(65)25-21-37-35-9-3-7-15-50(35)67-54(37)52;1-30-25-38(55(56,57)58)18-20-40(30)35-15-21-51(66-47-13-9-7-11-41(47)43-27-36(16-22-49(43)66)53-62-31(2)60-32(3)63-53)45(26-35)46-29-39(59-6)19-24-52(46)67-48-14-10-8-12-42(48)44-28-37(17-23-50(44)67)54-64-33(4)61-34(5)65-54/h3-63H,1H3;10-30H,1-8H3;1-29H;7-29H,1-5H3
InChIKeyKLCRRFDAPJURFE-UHFFFAOYSA-N
XLogP72.47
TPSA489.29 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds34
Heavy Atoms344
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004526.77
LogP ≤ 572.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

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

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Related Compounds

5-[4-[2-Phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90327196
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-([1]Benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-6-(trifluoromethyl)phenyl]-5-(6,7-dihydro-[1]benzofuro[3,2-a]carbazol-12-yl)benzonitrile
CID 137382181
2,5-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386826
2,5-Bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 137393394
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)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498898
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498944
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138498984
3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-[2,6-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499005
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

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole (CID 159166338) is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole is N#Cc1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C)ccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3ccc(C(F)(F)F)cc3C)ccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.
What is the InChIKey of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is KLCRRFDAPJURFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H64F3N15.C65H45F6N15.C57H29F6N3O2.C55H38F3N9/c1-64-57-78(105(106,107)108)48-50-80(64)73-43-51-87(122-88-52-44-74(101-114-93(65-27-11-3-12-28-65)110-94(115-101)66-29-13-4-14-30-66)59-82(88)83-60-75(45-53-89(83)122)102-116-95(67-31-15-5-16-32-67)111-96(117-102)68-33-17-6-18-34-68)81(58-73)86-63-79(109-2)49-56-92(86)123-90-54-46-76(103-118-97(69-35-19-7-20-36-69)112-98(119-103)70-37-21-8-22-38-70)61-84(90)85-62-77(47-55-91(85)123)104-120-99(71-39-23-9-24-40-71)113-100(121-104)72-41-25-10-26-42-72;1-31-73-32(2)78-60(77-31)40-11-19-55-48(25-40)49-26-41(61-79-33(3)74-34(4)80-61)12-20-56(49)85(55)54-18-10-39(46-17-15-44(64(66,67)68)29-53(46)65(69,70)71)24-47(54)52-30-45(72-9)16-23-59(52)86-57-21-13-42(62-81-35(5)75-36(6)82-62)27-50(57)51-28-43(14-22-58(51)86)63-83-37(7)76-38(8)84-63;58-56(59,60)33-19-20-34(43(29-33)57(61,62)63)32-18-24-47(66-45-14-6-2-12-40(45)53-49(66)26-22-38-36-10-4-8-16-51(36)68-55(38)53)42(28-32)41-27-31(30-64)17-23-46(41)65-44-13-5-1-11-39(44)52-48(65)25-21-37-35-9-3-7-15-50(35)67-54(37)52;1-30-25-38(55(56,57)58)18-20-40(30)35-15-21-51(66-47-13-9-7-11-41(47)43-27-36(16-22-49(43)66)53-62-31(2)60-32(3)63-53)45(26-35)46-29-39(59-6)19-24-52(46)67-48-14-10-8-12-42(48)44-28-37(17-23-50(44)67)54-64-33(4)61-34(5)65-54/h3-63H,1H3;10-30H,1-8H3;1-29H;7-29H,1-5H3.
What are the key properties of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole?
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 4526.77 g/mol, XLogP of 72.47, 34 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;9-[2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;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-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 159166338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).