2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile

C392H214F18N48O2S2 — CID 158687655

IUPAC2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4)c(C#N)c(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C#N)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1.[C-]#[N+]c1cc(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C99H57F3N16.2C69H39F3N10.C53H29F3N4.C51H25F3N4O2.C51H25F3N4S2/c1-104-80-58-86(118-83-55-70(97-113-91(64-34-18-6-19-35-64)107-92(114-97)65-36-20-7-21-37-65)44-49-77(83)78-50-45-71(56-84(78)118)98-115-93(66-38-22-8-23-39-66)108-94(116-98)67-40-24-9-25-41-67)85(57-79(80)74-51-46-73(99(100,101)102)52-72(74)59-103)117-81-53-68(95-109-87(60-26-10-2-11-27-60)105-88(110-95)61-28-12-3-13-29-61)42-47-75(81)76-48-43-69(54-82(76)117)96-111-89(62-30-14-4-15-31-62)106-90(112-96)63-32-16-5-17-33-63;1-74-56-40-62(82-58-29-17-15-27-52(58)55-38-47(31-35-60(55)82)68-79-65(44-22-10-4-11-23-44)76-66(80-68)45-24-12-5-13-25-45)61(39-53(56)50-33-32-49(69(70,71)72)36-48(50)41-73)81-57-28-16-14-26-51(57)54-37-46(30-34-59(54)81)67-77-63(42-18-6-2-7-19-42)75-64(78-67)43-20-8-3-9-21-43;1-74-56-40-62(82-58-29-17-15-27-52(58)54-34-31-47(38-60(54)82)68-79-65(44-22-10-4-11-23-44)76-66(80-68)45-24-12-5-13-25-45)61(39-55(56)50-35-32-49(69(70,71)72)36-48(50)41-73)81-57-28-16-14-26-51(57)53-33-30-46(37-59(53)81)67-77-63(42-18-6-2-7-19-42)75-64(78-67)43-20-8-3-9-21-43;54-53(55,56)36-19-22-37(35(25-36)28-57)34-26-47(59-45-15-7-5-13-40(45)42-20-17-32-23-30-9-1-3-11-38(30)49(32)51(42)59)44(29-58)48(27-34)60-46-16-8-6-14-41(46)43-21-18-33-24-31-10-2-4-12-39(31)50(33)52(43)60;2*52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-41(57-39-13-5-1-9-32(39)34-19-21-45-47(49(34)57)36-11-3-7-15-43(36)59-45)38(27-56)42(25-28)58-40-14-6-2-10-33(40)35-20-22-46-48(50(35)58)37-12-4-8-16-44(37)60-46/h2-58H;2*2-40H;1-22,25-27H,23-24H2;2*1-25H
InChIKeyIFYFBASAHDDOLE-UHFFFAOYSA-N
MW6034.46 g/mol
LogP101.06
Rot. Bonds42

About 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile

2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile (PubChem CID 158687655) has the molecular formula C392H214F18N48O2S2 and a molecular weight of 6034.46 g/mol. Its IUPAC name is 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile
PubChem CID158687655
Molecular FormulaC392H214F18N48O2S2
Molecular Weight6034.46 g/mol
Exact Mass6029.73
IUPAC Name2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4)c(C#N)c(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C#N)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1.[C-]#[N+]c1cc(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C99H57F3N16.2C69H39F3N10.C53H29F3N4.C51H25F3N4O2.C51H25F3N4S2/c1-104-80-58-86(118-83-55-70(97-113-91(64-34-18-6-19-35-64)107-92(114-97)65-36-20-7-21-37-65)44-49-77(83)78-50-45-71(56-84(78)118)98-115-93(66-38-22-8-23-39-66)108-94(116-98)67-40-24-9-25-41-67)85(57-79(80)74-51-46-73(99(100,101)102)52-72(74)59-103)117-81-53-68(95-109-87(60-26-10-2-11-27-60)105-88(110-95)61-28-12-3-13-29-61)42-47-75(81)76-48-43-69(54-82(76)117)96-111-89(62-30-14-4-15-31-62)106-90(112-96)63-32-16-5-17-33-63;1-74-56-40-62(82-58-29-17-15-27-52(58)55-38-47(31-35-60(55)82)68-79-65(44-22-10-4-11-23-44)76-66(80-68)45-24-12-5-13-25-45)61(39-53(56)50-33-32-49(69(70,71)72)36-48(50)41-73)81-57-28-16-14-26-51(57)54-37-46(30-34-59(54)81)67-77-63(42-18-6-2-7-19-42)75-64(78-67)43-20-8-3-9-21-43;1-74-56-40-62(82-58-29-17-15-27-52(58)54-34-31-47(38-60(54)82)68-79-65(44-22-10-4-11-23-44)76-66(80-68)45-24-12-5-13-25-45)61(39-55(56)50-35-32-49(69(70,71)72)36-48(50)41-73)81-57-28-16-14-26-51(57)53-33-30-46(37-59(53)81)67-77-63(42-18-6-2-7-19-42)75-64(78-67)43-20-8-3-9-21-43;54-53(55,56)36-19-22-37(35(25-36)28-57)34-26-47(59-45-15-7-5-13-40(45)42-20-17-32-23-30-9-1-3-11-38(30)49(32)51(42)59)44(29-58)48(27-34)60-46-16-8-6-14-41(46)43-21-18-33-24-31-10-2-4-12-39(31)50(33)52(43)60;2*52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-41(57-39-13-5-1-9-32(39)34-19-21-45-47(49(34)57)36-11-3-7-15-43(36)59-45)38(27-56)42(25-28)58-40-14-6-2-10-33(40)35-20-22-46-48(50(35)58)37-12-4-8-16-44(37)60-46/h2-58H;2*2-40H;1-22,25-27H,23-24H2;2*1-25H
InChIKeyIFYFBASAHDDOLE-UHFFFAOYSA-N
XLogP101.06
TPSA621.99 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds42
Heavy Atoms462
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006034.46
LogP ≤ 5101.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile with MolForge

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Related Compounds

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
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
6-Dibenzothiophen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-5-phenylindolo[3,2-c]carbazole
CID 155160157
6-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 155160162
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[5-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-[2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 157256819
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[3-isocyano-2-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylcarbazole;3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile;3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 157265144
CID 157340844
CID 157340844
CID 157377533
CID 157377533

Frequently Asked Questions

What is the IUPAC name of 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile?
The IUPAC name of 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile (CID 158687655) is 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile?
The canonical SMILES for 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4)c(C#N)c(-n2c3ccccc3c3ccc4c(c32)-c2ccccc2C4)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(C#N)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(C#N)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1.[C-]#[N+]c1cc(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1-c1ccc(C(F)(F)F)cc1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc1-c1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile?
The InChIKey is IFYFBASAHDDOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H57F3N16.2C69H39F3N10.C53H29F3N4.C51H25F3N4O2.C51H25F3N4S2/c1-104-80-58-86(118-83-55-70(97-113-91(64-34-18-6-19-35-64)107-92(114-97)65-36-20-7-21-37-65)44-49-77(83)78-50-45-71(56-84(78)118)98-115-93(66-38-22-8-23-39-66)108-94(116-98)67-40-24-9-25-41-67)85(57-79(80)74-51-46-73(99(100,101)102)52-72(74)59-103)117-81-53-68(95-109-87(60-26-10-2-11-27-60)105-88(110-95)61-28-12-3-13-29-61)42-47-75(81)76-48-43-69(54-82(76)117)96-111-89(62-30-14-4-15-31-62)106-90(112-96)63-32-16-5-17-33-63;1-74-56-40-62(82-58-29-17-15-27-52(58)55-38-47(31-35-60(55)82)68-79-65(44-22-10-4-11-23-44)76-66(80-68)45-24-12-5-13-25-45)61(39-53(56)50-33-32-49(69(70,71)72)36-48(50)41-73)81-57-28-16-14-26-51(57)54-37-46(30-34-59(54)81)67-77-63(42-18-6-2-7-19-42)75-64(78-67)43-20-8-3-9-21-43;1-74-56-40-62(82-58-29-17-15-27-52(58)54-34-31-47(38-60(54)82)68-79-65(44-22-10-4-11-23-44)76-66(80-68)45-24-12-5-13-25-45)61(39-55(56)50-35-32-49(69(70,71)72)36-48(50)41-73)81-57-28-16-14-26-51(57)53-33-30-46(37-59(53)81)67-77-63(42-18-6-2-7-19-42)75-64(78-67)43-20-8-3-9-21-43;54-53(55,56)36-19-22-37(35(25-36)28-57)34-26-47(59-45-15-7-5-13-40(45)42-20-17-32-23-30-9-1-3-11-38(30)49(32)51(42)59)44(29-58)48(27-34)60-46-16-8-6-14-41(46)43-21-18-33-24-31-10-2-4-12-39(31)50(33)52(43)60;2*52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-41(57-39-13-5-1-9-32(39)34-19-21-45-47(49(34)57)36-11-3-7-15-43(36)59-45)38(27-56)42(25-28)58-40-14-6-2-10-33(40)35-20-22-46-48(50(35)58)37-12-4-8-16-44(37)60-46/h2-58H;2*2-40H;1-22,25-27H,23-24H2;2*1-25H.
What are the key properties of 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile?
2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile has a molecular weight of 6034.46 g/mol, XLogP of 101.06, 42 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2-[4,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;2-[4,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-isocyanophenyl]-5-(trifluoromethyl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[1,2-a]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 158687655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).