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

C234H150F12N30O2S2 — CID 159155299

IUPAC4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1
InChIInChI=1S/C65H48F3N15.C57H32F3N3O2.C57H32F3N3S2.C55H38F3N9/c1-32-12-11-13-53(65(66,67)68)60(32)41-14-20-54(82-55-21-15-42(61-74-33(2)70-34(3)75-61)27-48(55)49-28-43(16-22-56(49)82)62-76-35(4)71-36(5)77-62)47(26-41)52-31-46(69-10)19-25-59(52)83-57-23-17-44(63-78-37(6)72-38(7)79-63)29-50(57)51-30-45(18-24-58(51)83)64-80-39(8)73-40(9)81-64;1-32-11-10-16-43(57(58,59)60)52(32)34-22-26-47(63-45-18-7-3-15-40(45)54-49(63)28-24-38-36-13-5-9-20-51(36)65-56(38)54)42(30-34)41-29-33(31-61)21-25-46(41)62-44-17-6-2-14-39(44)53-48(62)27-23-37-35-12-4-8-19-50(35)64-55(37)53;1-32-12-11-17-43(57(58,59)60)52(32)33-22-26-46(62-44-18-7-3-15-39(44)53-48(62)28-24-37-35-13-5-9-20-50(35)64-55(37)53)41(30-33)42-31-34(61-2)23-27-47(42)63-45-19-8-4-16-40(45)54-49(63)29-25-38-36-14-6-10-21-51(36)65-56(38)54;1-30-12-11-15-45(55(56,57)58)52(30)35-18-22-50(66-46-16-9-7-13-39(46)41-27-36(19-23-48(41)66)53-62-31(2)60-32(3)63-53)43(26-35)44-29-38(59-6)21-25-51(44)67-47-17-10-8-14-40(47)42-28-37(20-24-49(42)67)54-64-33(4)61-34(5)65-54/h11-31H,1-9H3;2-30H,1H3;3-31H,1H3;7-29H,1-5H3
InChIKeyKJUWJOVOFJUBLJ-UHFFFAOYSA-N
MW3706.09 g/mol
LogP63.04
Rot. Bonds22

About 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 159155299) has the molecular formula C234H150F12N30O2S2 and a molecular weight of 3706.09 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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID159155299
Molecular FormulaC234H150F12N30O2S2
Molecular Weight3706.09 g/mol
Exact Mass3703.18
IUPAC Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1
InChIInChI=1S/C65H48F3N15.C57H32F3N3O2.C57H32F3N3S2.C55H38F3N9/c1-32-12-11-13-53(65(66,67)68)60(32)41-14-20-54(82-55-21-15-42(61-74-33(2)70-34(3)75-61)27-48(55)49-28-43(16-22-56(49)82)62-76-35(4)71-36(5)77-62)47(26-41)52-31-46(69-10)19-25-59(52)83-57-23-17-44(63-78-37(6)72-38(7)79-63)29-50(57)51-30-45(18-24-58(51)83)64-80-39(8)73-40(9)81-64;1-32-11-10-16-43(57(58,59)60)52(32)34-22-26-47(63-45-18-7-3-15-40(45)54-49(63)28-24-38-36-13-5-9-20-51(36)65-56(38)54)42(30-34)41-29-33(31-61)21-25-46(41)62-44-17-6-2-14-39(44)53-48(62)27-23-37-35-12-4-8-19-50(35)64-55(37)53;1-32-12-11-17-43(57(58,59)60)52(32)33-22-26-46(62-44-18-7-3-15-39(44)53-48(62)28-24-37-35-13-5-9-20-50(35)64-55(37)53)41(30-33)42-31-34(61-2)23-27-47(42)63-45-19-8-4-16-40(45)54-49(63)29-25-38-36-14-6-10-21-51(36)65-56(38)54;1-30-12-11-15-45(55(56,57)58)52(30)35-18-22-50(66-46-16-9-7-13-39(46)41-27-36(19-23-48(41)66)53-62-31(2)60-32(3)63-53)43(26-35)44-29-38(59-6)21-25-51(44)67-47-17-10-8-14-40(47)42-28-37(20-24-49(42)67)54-64-33(4)61-34(5)65-54/h11-31H,1-9H3;2-30H,1H3;3-31H,1H3;7-29H,1-5H3
InChIKeyKJUWJOVOFJUBLJ-UHFFFAOYSA-N
XLogP63.04
TPSA334.61 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003706.09
LogP ≤ 563.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

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

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Related Compounds

3-[5-[3-[4-[[5-[3-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499324
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499590
2-[2-[3-[4-[[5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-6-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-10-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]-3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499628
3-[5-[3-[4-[[5-[3-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499751
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554689
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158578
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158580
14-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159487
5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159514
7-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[2,3-b]carbazole
CID 155159515
2-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 155160012
5-Dibenzothiophen-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155160013

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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(trifluoromethyl)phenyl]phenyl]carbazole (CID 159155299) is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2cc(C#N)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2cc(-c3c(C)cccc3C(F)(F)F)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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is KJUWJOVOFJUBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48F3N15.C57H32F3N3O2.C57H32F3N3S2.C55H38F3N9/c1-32-12-11-13-53(65(66,67)68)60(32)41-14-20-54(82-55-21-15-42(61-74-33(2)70-34(3)75-61)27-48(55)49-28-43(16-22-56(49)82)62-76-35(4)71-36(5)77-62)47(26-41)52-31-46(69-10)19-25-59(52)83-57-23-17-44(63-78-37(6)72-38(7)79-63)29-50(57)51-30-45(18-24-58(51)83)64-80-39(8)73-40(9)81-64;1-32-11-10-16-43(57(58,59)60)52(32)34-22-26-47(63-45-18-7-3-15-40(45)54-49(63)28-24-38-36-13-5-9-20-51(36)65-56(38)54)42(30-34)41-29-33(31-61)21-25-46(41)62-44-17-6-2-14-39(44)53-48(62)27-23-37-35-12-4-8-19-50(35)64-55(37)53;1-32-12-11-17-43(57(58,59)60)52(32)33-22-26-46(62-44-18-7-3-15-39(44)53-48(62)28-24-37-35-13-5-9-20-50(35)64-55(37)53)41(30-33)42-31-34(61-2)23-27-47(42)63-45-19-8-4-16-40(45)54-49(63)29-25-38-36-14-6-10-21-51(36)65-56(38)54;1-30-12-11-15-45(55(56,57)58)52(30)35-18-22-50(66-46-16-9-7-13-39(46)41-27-36(19-23-48(41)66)53-62-31(2)60-32(3)63-53)43(26-35)44-29-38(59-6)21-25-51(44)67-47-17-10-8-14-40(47)42-28-37(20-24-49(42)67)54-64-33(4)61-34(5)65-54/h11-31H,1-9H3;2-30H,1H3;3-31H,1H3;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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 3706.09 g/mol, XLogP of 63.04, 22 rotatable bonds, 0 hydrogen bond donors, and 31 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-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-4-[2-methyl-6-(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]-5-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-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-6-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 159155299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).