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

C315H192F15N19O2S2 — CID 159416953

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/2C69H42F3N5.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-40-44(69(70,71)72)33-34-47(42)43-32-37-60(76-58-29-15-11-24-52(58)65-62(76)38-35-50-48-22-9-13-27-56(48)74(67(50)65)45-18-5-3-6-19-45)54(41-43)64-55(73-2)26-17-31-61(64)77-59-30-16-12-25-53(59)66-63(77)39-36-51-49-23-10-14-28-57(49)75(68(51)66)46-20-7-4-8-21-46;1-42-36-44(69(70,71)72)33-34-47(42)43-32-35-62(76-60-29-15-11-24-50(60)54-38-52-48-22-9-13-27-58(48)74(64(52)40-66(54)76)45-18-5-3-6-19-45)56(37-43)68-57(73-2)26-17-31-63(68)77-61-30-16-12-25-51(61)55-39-53-49-23-10-14-28-59(49)75(65(53)41-67(55)77)46-20-7-4-8-21-46;1-36-34-38(63(64,65)66)27-28-39(36)37-26-31-52(68-50-23-13-9-18-44(50)57-54(68)32-29-42-40-16-7-11-20-47(40)61(2,3)59(42)57)46(35-37)56-49(67-6)22-15-25-53(56)69-51-24-14-10-19-45(51)58-55(69)33-30-43-41-17-8-12-21-48(41)62(4,5)60(43)58;2*1-32-30-34(57(58,59)60)23-24-35(32)33-22-27-46(62-44-17-7-3-14-40(44)53-48(62)28-25-38-36-12-5-9-20-50(36)64-55(38)53)42(31-33)52-43(61-2)16-11-19-47(52)63-45-18-8-4-15-41(45)54-49(63)29-26-39-37-13-6-10-21-51(37)65-56(39)54/h2*3-41H,1H3;7-35H,1-5H3;2*3-31H,1H3
InChIKeyLPGXORQOZCSNFO-UHFFFAOYSA-N
MW4624.24 g/mol
LogP91.00
Rot. Bonds24

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

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 159416953) has the molecular formula C315H192F15N19O2S2 and a molecular weight of 4624.24 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID159416953
Molecular FormulaC315H192F15N19O2S2
Molecular Weight4624.24 g/mol
Exact Mass4620.47
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/2C69H42F3N5.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-40-44(69(70,71)72)33-34-47(42)43-32-37-60(76-58-29-15-11-24-52(58)65-62(76)38-35-50-48-22-9-13-27-56(48)74(67(50)65)45-18-5-3-6-19-45)54(41-43)64-55(73-2)26-17-31-61(64)77-59-30-16-12-25-53(59)66-63(77)39-36-51-49-23-10-14-28-57(49)75(68(51)66)46-20-7-4-8-21-46;1-42-36-44(69(70,71)72)33-34-47(42)43-32-35-62(76-60-29-15-11-24-50(60)54-38-52-48-22-9-13-27-58(48)74(64(52)40-66(54)76)45-18-5-3-6-19-45)56(37-43)68-57(73-2)26-17-31-63(68)77-61-30-16-12-25-51(61)55-39-53-49-23-10-14-28-59(49)75(65(53)41-67(55)77)46-20-7-4-8-21-46;1-36-34-38(63(64,65)66)27-28-39(36)37-26-31-52(68-50-23-13-9-18-44(50)57-54(68)32-29-42-40-16-7-11-20-47(40)61(2,3)59(42)57)46(35-37)56-49(67-6)22-15-25-53(56)69-51-24-14-10-19-45(51)58-55(69)33-30-43-41-17-8-12-21-48(41)62(4,5)60(43)58;2*1-32-30-34(57(58,59)60)23-24-35(32)33-22-27-46(62-44-17-7-3-14-40(44)53-48(62)28-25-38-36-12-5-9-20-50(36)64-55(38)53)42(31-33)52-43(61-2)16-11-19-47(52)63-45-18-8-4-15-41(45)54-49(63)29-26-39-37-13-6-10-21-51(37)65-56(39)54/h2*3-41H,1H3;7-35H,1-5H3;2*3-31H,1H3
InChIKeyLPGXORQOZCSNFO-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-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(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
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552777
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
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552870
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(3-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139553619
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-5-[4-[[9-[5-(2,6-difluorophenyl)-3-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]-7-methylcarbazol-2-yl]methyl]-3,5-difluorophenyl]-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 156315653

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(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-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 159416953) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(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-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(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-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is [C-]#[N+]c1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is LPGXORQOZCSNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H42F3N5.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-40-44(69(70,71)72)33-34-47(42)43-32-37-60(76-58-29-15-11-24-52(58)65-62(76)38-35-50-48-22-9-13-27-56(48)74(67(50)65)45-18-5-3-6-19-45)54(41-43)64-55(73-2)26-17-31-61(64)77-59-30-16-12-25-53(59)66-63(77)39-36-51-49-23-10-14-28-57(49)75(68(51)66)46-20-7-4-8-21-46;1-42-36-44(69(70,71)72)33-34-47(42)43-32-35-62(76-60-29-15-11-24-50(60)54-38-52-48-22-9-13-27-58(48)74(64(52)40-66(54)76)45-18-5-3-6-19-45)56(37-43)68-57(73-2)26-17-31-63(68)77-61-30-16-12-25-51(61)55-39-53-49-23-10-14-28-59(49)75(65(53)41-67(55)77)46-20-7-4-8-21-46;1-36-34-38(63(64,65)66)27-28-39(36)37-26-31-52(68-50-23-13-9-18-44(50)57-54(68)32-29-42-40-16-7-11-20-47(40)61(2,3)59(42)57)46(35-37)56-49(67-6)22-15-25-53(56)69-51-24-14-10-19-45(51)58-55(69)33-30-43-41-17-8-12-21-48(41)62(4,5)60(43)58;2*1-32-30-34(57(58,59)60)23-24-35(32)33-22-27-46(62-44-17-7-3-14-40(44)53-48(62)28-25-38-36-12-5-9-20-50(36)64-55(38)53)42(31-33)52-43(61-2)16-11-19-47(52)63-45-18-8-4-15-41(45)54-49(63)29-26-39-37-13-6-10-21-51(37)65-56(39)54/h2*3-41H,1H3;7-35H,1-5H3;2*3-31H,1H3.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(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-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-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-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-isocyano-2-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 159416953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).