2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile

C382H223F9N44S2 — CID 160568908

IUPAC2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile
SMILESCc1cccc(C#N)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C#N)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1.Cc1cccc(C#N)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c(C#N)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c1.Cc1cccc(C#N)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(C#N)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1
InChIInChI=1S/C99H57F3N16.2C63H38N6.C53H31F3N6.C53H34N6.C51H25F3N4S2/c1-104-79-44-26-43-78(99(100,101)102)86(79)72-57-84(117-80-49-45-68(95-109-87(60-27-10-2-11-28-60)105-88(110-95)61-29-12-3-13-30-61)53-73(80)74-54-69(46-50-81(74)117)96-111-89(62-31-14-4-15-32-62)106-90(112-96)63-33-16-5-17-34-63)77(59-103)85(58-72)118-82-51-47-70(97-113-91(64-35-18-6-19-36-64)107-92(114-97)65-37-20-7-21-38-65)55-75(82)76-56-71(48-52-83(76)118)98-115-93(66-39-22-8-23-40-66)108-94(116-98)67-41-24-9-25-42-67;1-39-17-16-18-40(37-64)59(39)41-35-57(68-51-27-12-8-23-44(51)46-31-33-55-60(62(46)68)48-25-10-14-29-53(48)66(55)42-19-4-2-5-20-42)50(38-65)58(36-41)69-52-28-13-9-24-45(52)47-32-34-56-61(63(47)69)49-26-11-15-30-54(49)67(56)43-21-6-3-7-22-43;1-39-17-16-18-40(37-64)59(39)41-35-57(68-55-29-14-10-25-46(55)50-33-31-48-44-23-8-12-27-53(44)66(60(48)62(50)68)42-19-4-2-5-20-42)52(38-65)58(36-41)69-56-30-15-11-26-47(56)51-34-32-49-45-24-9-13-28-54(45)67(61(49)63(51)69)43-21-6-3-7-22-43;1-58-41-18-12-17-40(53(54,55)56)48(41)30-27-46(61-44-21-10-6-15-33(44)37-25-23-35-31-13-4-8-19-42(31)59(2)49(35)51(37)61)39(29-57)47(28-30)62-45-22-11-7-16-34(45)38-26-24-36-32-14-5-9-20-43(32)60(3)50(36)52(38)62;1-31-13-12-14-32(29-54)49(31)33-27-47(58-43-21-10-4-15-34(43)36-23-25-45-50(52(36)58)38-17-6-8-19-41(38)56(45)2)40(30-55)48(28-33)59-44-22-11-5-16-35(44)37-24-26-46-51(53(37)59)39-18-7-9-20-42(39)57(46)3;1-56-39-16-10-15-38(51(52,53)54)46(39)28-25-42(57-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)59-49(35)47(33)57)37(27-55)43(26-28)58-41-18-7-3-12-30(41)34-22-24-36-32-14-5-9-20-45(32)60-50(36)48(34)58/h2-58H;2*2-36H,1H3;4-28H,2-3H3;4-28H,1-3H3;2-26H
InChIKeyRAHHKKKOFVILSH-UHFFFAOYSA-N
MW5664.41 g/mol
LogP98.21
Rot. Bonds34

About 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile

2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile (PubChem CID 160568908) has the molecular formula C382H223F9N44S2 and a molecular weight of 5664.41 g/mol. Its IUPAC name is 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile
PubChem CID160568908
Molecular FormulaC382H223F9N44S2
Molecular Weight5664.41 g/mol
Exact Mass5659.81
IUPAC Name2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile
SMILESCc1cccc(C#N)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C#N)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1.Cc1cccc(C#N)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c(C#N)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c1.Cc1cccc(C#N)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(C#N)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1
InChIInChI=1S/C99H57F3N16.2C63H38N6.C53H31F3N6.C53H34N6.C51H25F3N4S2/c1-104-79-44-26-43-78(99(100,101)102)86(79)72-57-84(117-80-49-45-68(95-109-87(60-27-10-2-11-28-60)105-88(110-95)61-29-12-3-13-30-61)53-73(80)74-54-69(46-50-81(74)117)96-111-89(62-31-14-4-15-32-62)106-90(112-96)63-33-16-5-17-34-63)77(59-103)85(58-72)118-82-51-47-70(97-113-91(64-35-18-6-19-36-64)107-92(114-97)65-37-20-7-21-38-65)55-75(82)76-56-71(48-52-83(76)118)98-115-93(66-39-22-8-23-40-66)108-94(116-98)67-41-24-9-25-42-67;1-39-17-16-18-40(37-64)59(39)41-35-57(68-51-27-12-8-23-44(51)46-31-33-55-60(62(46)68)48-25-10-14-29-53(48)66(55)42-19-4-2-5-20-42)50(38-65)58(36-41)69-52-28-13-9-24-45(52)47-32-34-56-61(63(47)69)49-26-11-15-30-54(49)67(56)43-21-6-3-7-22-43;1-39-17-16-18-40(37-64)59(39)41-35-57(68-55-29-14-10-25-46(55)50-33-31-48-44-23-8-12-27-53(44)66(60(48)62(50)68)42-19-4-2-5-20-42)52(38-65)58(36-41)69-56-30-15-11-26-47(56)51-34-32-49-45-24-9-13-28-54(45)67(61(49)63(51)69)43-21-6-3-7-22-43;1-58-41-18-12-17-40(53(54,55)56)48(41)30-27-46(61-44-21-10-6-15-33(44)37-25-23-35-31-13-4-8-19-42(31)59(2)49(35)51(37)61)39(29-57)47(28-30)62-45-22-11-7-16-34(45)38-26-24-36-32-14-5-9-20-43(32)60(3)50(36)52(38)62;1-31-13-12-14-32(29-54)49(31)33-27-47(58-43-21-10-4-15-34(43)36-23-25-45-50(52(36)58)38-17-6-8-19-41(38)56(45)2)40(30-55)48(28-33)59-44-22-11-5-16-35(44)37-24-26-46-51(53(37)59)39-18-7-9-20-42(39)57(46)3;1-56-39-16-10-15-38(51(52,53)54)46(39)28-25-42(57-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)59-49(35)47(33)57)37(27-55)43(26-28)58-41-18-7-3-12-30(41)34-22-24-36-32-14-5-9-20-45(32)60-50(36)48(34)58/h2-58H;2*2-36H,1H3;4-28H,2-3H3;4-28H,1-3H3;2-26H
InChIKeyRAHHKKKOFVILSH-UHFFFAOYSA-N
XLogP98.21
TPSA480.47 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds34
Heavy Atoms437
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005664.41
LogP ≤ 598.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile with MolForge

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Related Compounds

3,5-Bis([1]benzothiolo[3,2-b]carbazol-11-yl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368704
2,3,5-Tris([1]benzothiolo[3,2-b]carbazol-11-yl)-6-[3,6-bis(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368841
2-([1]Benzothiolo[2,3-a]carbazol-12-yl)-3,5,6-tris[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368904
2,3,5-Tris([1]benzothiolo[2,3-a]carbazol-12-yl)-6-[3,6-bis(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368933
3,5-Bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369045
2,3,5-Tris([1]benzothiolo[3,2-b]carbazol-11-yl)-6-[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369167
2,6-Bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3,5-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369300
2,5-Bis([1]benzothiolo[3,2-b]carbazol-11-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369339
2,6-Bis([1]benzothiolo[3,2-b]carbazol-11-yl)-3,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369377
5-[9-[2-[3,6-Bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[2-cyano-6-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)-7,8-dihydrocarbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
CID 137381576
5-[9-[2-[3,6-Bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyano-5-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]-4-[[4-[9-[5-cyano-2-[4-[9-[5-cyano-4-[3-cyano-5-(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-6-methyl-1,3,5-triazin-2-yl]methyl]benzene-1,3-dicarbonitrile
CID 137386935
2-[4-[12-[2-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzothiolo[2,3-a]carbazol-4-yl]-2,6-bis(trifluoromethyl)phenyl]-4,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137392616

Frequently Asked Questions

What is the IUPAC name of 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile?
The IUPAC name of 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile (CID 160568908) is 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile?
The canonical SMILES for 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile is Cc1cccc(C#N)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C#N)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1.Cc1cccc(C#N)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c(C#N)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c1.Cc1cccc(C#N)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(C#N)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)c1.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(C#N)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1.
What is the InChIKey of 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile?
The InChIKey is RAHHKKKOFVILSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H57F3N16.2C63H38N6.C53H31F3N6.C53H34N6.C51H25F3N4S2/c1-104-79-44-26-43-78(99(100,101)102)86(79)72-57-84(117-80-49-45-68(95-109-87(60-27-10-2-11-28-60)105-88(110-95)61-29-12-3-13-30-61)53-73(80)74-54-69(46-50-81(74)117)96-111-89(62-31-14-4-15-32-62)106-90(112-96)63-33-16-5-17-34-63)77(59-103)85(58-72)118-82-51-47-70(97-113-91(64-35-18-6-19-36-64)107-92(114-97)65-37-20-7-21-38-65)55-75(82)76-56-71(48-52-83(76)118)98-115-93(66-39-22-8-23-40-66)108-94(116-98)67-41-24-9-25-42-67;1-39-17-16-18-40(37-64)59(39)41-35-57(68-51-27-12-8-23-44(51)46-31-33-55-60(62(46)68)48-25-10-14-29-53(48)66(55)42-19-4-2-5-20-42)50(38-65)58(36-41)69-52-28-13-9-24-45(52)47-32-34-56-61(63(47)69)49-26-11-15-30-54(49)67(56)43-21-6-3-7-22-43;1-39-17-16-18-40(37-64)59(39)41-35-57(68-55-29-14-10-25-46(55)50-33-31-48-44-23-8-12-27-53(44)66(60(48)62(50)68)42-19-4-2-5-20-42)52(38-65)58(36-41)69-56-30-15-11-26-47(56)51-34-32-49-45-24-9-13-28-54(45)67(61(49)63(51)69)43-21-6-3-7-22-43;1-58-41-18-12-17-40(53(54,55)56)48(41)30-27-46(61-44-21-10-6-15-33(44)37-25-23-35-31-13-4-8-19-42(31)59(2)49(35)51(37)61)39(29-57)47(28-30)62-45-22-11-7-16-34(45)38-26-24-36-32-14-5-9-20-43(32)60(3)50(36)52(38)62;1-31-13-12-14-32(29-54)49(31)33-27-47(58-43-21-10-4-15-34(43)36-23-25-45-50(52(36)58)38-17-6-8-19-41(38)56(45)2)40(30-55)48(28-33)59-44-22-11-5-16-35(44)37-24-26-46-51(53(37)59)39-18-7-9-20-42(39)57(46)3;1-56-39-16-10-15-38(51(52,53)54)46(39)28-25-42(57-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)59-49(35)47(33)57)37(27-55)43(26-28)58-41-18-7-3-12-30(41)34-22-24-36-32-14-5-9-20-45(32)60-50(36)48(34)58/h2-58H;2*2-36H,1H3;4-28H,2-3H3;4-28H,1-3H3;2-26H.
What are the key properties of 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile?
2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile has a molecular weight of 5664.41 g/mol, XLogP of 98.21, 34 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-(2-cyano-6-methylphenyl)-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 160568908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).