5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

C311H198F15N29O2S2 — CID 160905554

IUPAC5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(-c3nc(C)nc(C)n3)cc2c2cc(-c3nc(C)nc(C)n3)ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C69H42F3N5.C65H48F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-37-44(39-45(38-42)69(70,71)72)43-29-34-62(77-61-28-16-12-24-54(61)66-64(77)36-32-52-50-22-10-14-26-59(50)76(68(52)66)47-19-7-4-8-20-47)56(40-43)55-41-48(30-33-57(55)73-2)74-60-27-15-11-23-53(60)65-63(74)35-31-51-49-21-9-13-25-58(49)75(67(51)65)46-17-5-3-6-18-46;1-32-23-46(25-47(24-32)65(66,67)68)41-11-18-58(83-59-21-14-44(63-78-37(6)72-38(7)79-63)29-53(59)54-30-45(15-22-60(54)83)64-80-39(8)73-40(9)81-64)50(26-41)49-31-48(16-17-55(49)69-10)82-56-19-12-42(61-74-33(2)70-34(3)75-61)27-51(56)52-28-43(13-20-57(52)82)62-76-35(4)71-36(5)77-62;1-36-31-38(33-39(32-36)63(64,65)66)37-23-28-54(69-53-22-14-10-18-46(53)58-56(69)30-26-44-42-16-8-12-20-50(42)62(4,5)60(44)58)48(34-37)47-35-40(24-27-51(47)67-6)68-52-21-13-9-17-45(52)57-55(68)29-25-43-41-15-7-11-19-49(41)61(2,3)59(43)57;2*1-32-27-34(29-35(28-32)57(58,59)60)33-19-24-48(63-47-16-8-4-14-42(47)54-50(63)26-22-40-38-12-6-10-18-52(38)65-56(40)54)44(30-33)43-31-36(20-23-45(43)61-2)62-46-15-7-3-13-41(46)53-49(62)25-21-39-37-11-5-9-17-51(37)64-55(39)53/h3-41H,1H3;11-31H,1-9H3;7-35H,1-5H3;2*3-31H,1H3
InChIKeySQCBRXAZIYXBRL-UHFFFAOYSA-N
MW4722.31 g/mol
LogP86.68
Rot. Bonds26

About 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(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-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 160905554) has the molecular formula C311H198F15N29O2S2 and a molecular weight of 4722.31 g/mol. Its IUPAC name is 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(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-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID160905554
Molecular FormulaC311H198F15N29O2S2
Molecular Weight4722.31 g/mol
Exact Mass4718.55
IUPAC Name5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(-c3nc(C)nc(C)n3)cc2c2cc(-c3nc(C)nc(C)n3)ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C69H42F3N5.C65H48F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-37-44(39-45(38-42)69(70,71)72)43-29-34-62(77-61-28-16-12-24-54(61)66-64(77)36-32-52-50-22-10-14-26-59(50)76(68(52)66)47-19-7-4-8-20-47)56(40-43)55-41-48(30-33-57(55)73-2)74-60-27-15-11-23-53(60)65-63(74)35-31-51-49-21-9-13-25-58(49)75(67(51)65)46-17-5-3-6-18-46;1-32-23-46(25-47(24-32)65(66,67)68)41-11-18-58(83-59-21-14-44(63-78-37(6)72-38(7)79-63)29-53(59)54-30-45(15-22-60(54)83)64-80-39(8)73-40(9)81-64)50(26-41)49-31-48(16-17-55(49)69-10)82-56-19-12-42(61-74-33(2)70-34(3)75-61)27-51(56)52-28-43(13-20-57(52)82)62-76-35(4)71-36(5)77-62;1-36-31-38(33-39(32-36)63(64,65)66)37-23-28-54(69-53-22-14-10-18-46(53)58-56(69)30-26-44-42-16-8-12-20-50(42)62(4,5)60(44)58)48(34-37)47-35-40(24-27-51(47)67-6)68-52-21-13-9-17-45(52)57-55(68)29-25-43-41-15-7-11-19-49(41)61(2,3)59(43)57;2*1-32-27-34(29-35(28-32)57(58,59)60)33-19-24-48(63-47-16-8-4-14-42(47)54-50(63)26-22-40-38-12-6-10-18-52(38)65-56(40)54)44(30-33)43-31-36(20-23-45(43)61-2)62-46-15-7-3-13-41(46)53-49(62)25-21-39-37-11-5-9-17-51(37)64-55(39)53/h3-41H,1H3;11-31H,1-9H3;7-35H,1-5H3;2*3-31H,1H3
InChIKeySQCBRXAZIYXBRL-UHFFFAOYSA-N
XLogP86.68
TPSA261.92 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms359
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004722.31
LogP ≤ 586.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(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

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
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158580
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
18-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-phenylspiro[9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene-27,9'-fluorene]
CID 155160003
9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-18-phenylspiro[9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene-27,9'-fluorene]
CID 155160004
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
27-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-18-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160014
18-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-27-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160018
2-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11-phenylindolo[3,2-b]carbazole
CID 155160153

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(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-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 160905554) is 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(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-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(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-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is [C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccc(-c3nc(C)nc(C)n3)cc2c2cc(-c3nc(C)nc(C)n3)ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.
What is the InChIKey of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is SQCBRXAZIYXBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42F3N5.C65H48F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-37-44(39-45(38-42)69(70,71)72)43-29-34-62(77-61-28-16-12-24-54(61)66-64(77)36-32-52-50-22-10-14-26-59(50)76(68(52)66)47-19-7-4-8-20-47)56(40-43)55-41-48(30-33-57(55)73-2)74-60-27-15-11-23-53(60)65-63(74)35-31-51-49-21-9-13-25-58(49)75(67(51)65)46-17-5-3-6-18-46;1-32-23-46(25-47(24-32)65(66,67)68)41-11-18-58(83-59-21-14-44(63-78-37(6)72-38(7)79-63)29-53(59)54-30-45(15-22-60(54)83)64-80-39(8)73-40(9)81-64)50(26-41)49-31-48(16-17-55(49)69-10)82-56-19-12-42(61-74-33(2)70-34(3)75-61)27-51(56)52-28-43(13-20-57(52)82)62-76-35(4)71-36(5)77-62;1-36-31-38(33-39(32-36)63(64,65)66)37-23-28-54(69-53-22-14-10-18-46(53)58-56(69)30-26-44-42-16-8-12-20-50(42)62(4,5)60(44)58)48(34-37)47-35-40(24-27-51(47)67-6)68-52-21-13-9-17-45(52)57-55(68)29-25-43-41-15-7-11-19-49(41)61(2,3)59(43)57;2*1-32-27-34(29-35(28-32)57(58,59)60)33-19-24-48(63-47-16-8-4-14-42(47)54-50(63)26-22-40-38-12-6-10-18-52(38)65-56(40)54)44(30-33)43-31-36(20-23-45(43)61-2)62-46-15-7-3-13-41(46)53-49(62)25-21-39-37-11-5-9-17-51(37)64-55(39)53/h3-41H,1H3;11-31H,1-9H3;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-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(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-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 4722.31 g/mol, XLogP of 86.68, 26 rotatable bonds, 0 hydrogen bond donors, and 28 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-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 160905554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).