5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

C315H192F15N19O2S2 — CID 159237885

IUPAC5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/2C69H42F3N5.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-18-17-27-55(69(70,71)72)64(42)43-32-37-61(77-60-31-16-12-26-52(60)66-63(77)39-35-50-48-24-10-14-29-58(48)76(68(50)66)45-21-7-4-8-22-45)54(40-43)53-41-46(33-36-56(53)73-2)74-59-30-15-11-25-51(59)65-62(74)38-34-49-47-23-9-13-28-57(47)75(67(49)65)44-19-5-3-6-20-44;1-42-18-17-27-57(69(70,71)72)68(42)43-32-35-63(77-62-31-16-12-26-50(62)56-39-54-48-24-10-14-29-60(48)75(65(54)41-67(56)77)45-21-7-4-8-22-45)52(36-43)51-37-46(33-34-58(51)73-2)76-61-30-15-11-25-49(61)55-38-53-47-23-9-13-28-59(47)74(64(53)40-66(55)76)44-19-5-3-6-20-44;1-36-16-15-23-49(63(64,65)66)56(36)37-26-31-53(69-52-25-14-10-20-44(52)58-55(69)33-29-42-40-18-8-12-22-48(40)62(4,5)60(42)58)46(34-37)45-35-38(27-30-50(45)67-6)68-51-24-13-9-19-43(51)57-54(68)32-28-41-39-17-7-11-21-47(39)61(2,3)59(41)57;2*1-32-12-11-17-43(57(58,59)60)52(32)33-22-27-47(63-46-19-8-4-16-40(46)54-49(63)29-25-38-36-14-6-10-21-51(36)65-56(38)54)42(30-33)41-31-34(23-26-44(41)61-2)62-45-18-7-3-15-39(45)53-48(62)28-24-37-35-13-5-9-20-50(35)64-55(37)53/h2*3-41H,1H3;7-35H,1-5H3;2*3-31H,1H3
InChIKeyKTSDXIHYVVLIIR-UHFFFAOYSA-N
MW4624.24 g/mol
LogP91.00
Rot. Bonds24

About 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 159237885) has the molecular formula C315H192F15N19O2S2 and a molecular weight of 4624.24 g/mol. Its IUPAC name is 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID159237885
Molecular FormulaC315H192F15N19O2S2
Molecular Weight4624.24 g/mol
Exact Mass4620.47
IUPAC Name5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/2C69H42F3N5.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-18-17-27-55(69(70,71)72)64(42)43-32-37-61(77-60-31-16-12-26-52(60)66-63(77)39-35-50-48-24-10-14-29-58(48)76(68(50)66)45-21-7-4-8-22-45)54(40-43)53-41-46(33-36-56(53)73-2)74-59-30-15-11-25-51(59)65-62(74)38-34-49-47-23-9-13-28-57(47)75(67(49)65)44-19-5-3-6-20-44;1-42-18-17-27-57(69(70,71)72)68(42)43-32-35-63(77-62-31-16-12-26-50(62)56-39-54-48-24-10-14-29-60(48)75(65(54)41-67(56)77)45-21-7-4-8-22-45)52(36-43)51-37-46(33-34-58(51)73-2)76-61-30-15-11-25-49(61)55-38-53-47-23-9-13-28-59(47)74(64(53)40-66(55)76)44-19-5-3-6-20-44;1-36-16-15-23-49(63(64,65)66)56(36)37-26-31-53(69-52-25-14-10-20-44(52)58-55(69)33-29-42-40-18-8-12-22-48(40)62(4,5)60(42)58)46(34-37)45-35-38(27-30-50(45)67-6)68-51-24-13-9-19-43(51)57-54(68)32-28-41-39-17-7-11-21-47(39)61(2,3)59(41)57;2*1-32-12-11-17-43(57(58,59)60)52(32)33-22-27-47(63-46-19-8-4-16-40(46)54-49(63)29-25-38-36-14-6-10-21-51(36)65-56(38)54)42(30-33)41-31-34(23-26-44(41)61-2)62-45-18-7-3-15-39(45)53-48(62)28-24-37-35-13-5-9-20-50(35)64-55(37)53/h2*3-41H,1H3;7-35H,1-5H3;2*3-31H,1H3
InChIKeyKTSDXIHYVVLIIR-UHFFFAOYSA-N
XLogP91.00
TPSA117.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms353
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004624.24
LogP ≤ 591.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

29-(4-Carbazol-9-ylphenyl)-6,21-difluoro-9-oxa-18-thia-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.019,24]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),19(24),20,22,26-tridecaene
CID 130382005
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
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
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716840
N-dibenzothiophen-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716841
N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138717115
N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-(4-fluorophenyl)carbazol-3-amine
CID 138717118
5-[5-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552797
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552826
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 139552853
10-N,22-N-bis(4-fluorophenyl)-26-phenyl-10-N,22-N-bis(6-phenyldibenzofuran-2-yl)-13-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.07,12.023,30.024,29]triaconta-2(18),3(15),4,6(14),7(12),8,10,16,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 156374017
2,6-bis([1]benzofuro[3,2-b]carbazol-11-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-b]carbazol-11-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(11H-indeno[1,2-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[3,2-b]carbazol-5-yl)benzonitrile
CID 157186735

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 159237885) is 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is KTSDXIHYVVLIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H42F3N5.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-18-17-27-55(69(70,71)72)64(42)43-32-37-61(77-60-31-16-12-26-52(60)66-63(77)39-35-50-48-24-10-14-29-58(48)76(68(50)66)45-21-7-4-8-22-45)54(40-43)53-41-46(33-36-56(53)73-2)74-59-30-15-11-25-51(59)65-62(74)38-34-49-47-23-9-13-28-57(47)75(67(49)65)44-19-5-3-6-20-44;1-42-18-17-27-57(69(70,71)72)68(42)43-32-35-63(77-62-31-16-12-26-50(62)56-39-54-48-24-10-14-29-60(48)75(65(54)41-67(56)77)45-21-7-4-8-22-45)52(36-43)51-37-46(33-34-58(51)73-2)76-61-30-15-11-25-49(61)55-38-53-47-23-9-13-28-59(47)74(64(53)40-66(55)76)44-19-5-3-6-20-44;1-36-16-15-23-49(63(64,65)66)56(36)37-26-31-53(69-52-25-14-10-20-44(52)58-55(69)33-29-42-40-18-8-12-22-48(40)62(4,5)60(42)58)46(34-37)45-35-38(27-30-50(45)67-6)68-51-24-13-9-19-43(51)57-54(68)32-28-41-39-17-7-11-21-47(39)61(2,3)59(41)57;2*1-32-12-11-17-43(57(58,59)60)52(32)33-22-27-47(63-46-19-8-4-16-40(46)54-49(63)29-25-38-36-14-6-10-21-51(36)65-56(38)54)42(30-33)41-31-34(23-26-44(41)61-2)62-45-18-7-3-15-39(45)53-48(62)28-24-37-35-13-5-9-20-50(35)64-55(37)53/h2*3-41H,1H3;7-35H,1-5H3;2*3-31H,1H3.
What are the key properties of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 4624.24 g/mol, XLogP of 91.00, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-3-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 159237885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).