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

C382H216F19N43S2 — CID 159427920

IUPAC12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)ccc(-c2c(CF)cccc2C(F)(F)F)c1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C#N)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c(C#N)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3C)c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4n(C)c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4sc3c21
InChIInChI=1S/C99H59F4N15.2C63H35F3N6.2C53H31F3N6.C51H25F3N4S2/c100-58-72-42-25-43-79(99(101,102)103)85(72)73-48-53-84(117-80-49-44-68(95-109-87(60-26-9-1-10-27-60)105-88(110-95)61-28-11-2-12-29-61)54-74(80)75-55-69(45-50-81(75)117)96-111-89(62-30-13-3-14-31-62)106-90(112-96)63-32-15-4-16-33-63)78(59-104)86(73)118-82-51-46-70(97-113-91(64-34-17-5-18-35-64)107-92(114-97)65-36-19-6-20-37-65)56-76(82)77-57-71(47-52-83(77)118)98-115-93(66-38-21-7-22-39-66)108-94(116-98)67-40-23-8-24-41-67;1-67-50-27-17-26-49(63(64,65)66)56(50)48-36-37-55(71-53-30-15-11-24-42(53)46-34-32-44-40-22-9-13-28-51(40)69(59(44)61(46)71)38-18-5-3-6-19-38)57(68-2)58(48)72-54-31-16-12-25-43(54)47-35-33-45-41-23-10-14-29-52(41)70(60(45)62(47)72)39-20-7-4-8-21-39;1-68-49-26-16-25-48(63(64,65)66)57(49)46-33-34-54(71-50-27-12-8-21-40(50)42-31-35-55-58(61(42)71)44-23-10-14-29-52(44)69(55)38-17-4-2-5-18-38)47(37-67)60(46)72-51-28-13-9-22-41(51)43-32-36-56-59(62(43)72)45-24-11-15-30-53(45)70(56)39-19-6-3-7-20-39;1-57-40-19-13-18-39(53(54,55)56)46(40)38-28-29-45(61-43-22-11-7-16-32(43)36-26-24-34-30-14-5-9-20-41(30)59(3)49(34)51(36)61)47(58-2)48(38)62-44-23-12-8-17-33(44)37-27-25-35-31-15-6-10-21-42(31)60(4)50(35)52(37)62;1-58-39-18-12-17-38(53(54,55)56)47(39)36-25-26-44(61-42-21-10-4-13-30(42)32-23-27-45-48(51(32)61)34-15-6-8-19-40(34)59(45)2)37(29-57)50(36)62-43-22-11-5-14-31(43)33-24-28-46-49(52(33)62)35-16-7-9-20-41(35)60(46)3;1-55-38-17-11-16-37(51(52,53)54)44(38)36-26-27-41(57-39-18-7-3-12-28(39)32-22-24-34-30-14-5-9-20-42(30)59-49(34)47(32)57)45(56-2)46(36)58-40-19-8-4-13-29(40)33-23-25-35-31-15-6-10-21-43(31)60-50(35)48(33)58/h1-57H,58H2;3-37H;2-36H;5-29H,3-4H3;4-28H,2-3H3;3-27H
InChIKeyLQPKYDQACJFWRD-UHFFFAOYSA-N
MW5833.33 g/mol
LogP104.34
Rot. Bonds35

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

12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 159427920) has the molecular formula C382H216F19N43S2 and a molecular weight of 5833.33 g/mol. Its IUPAC name is 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID159427920
Molecular FormulaC382H216F19N43S2
Molecular Weight5833.33 g/mol
Exact Mass5828.74
IUPAC Name12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)ccc(-c2c(CF)cccc2C(F)(F)F)c1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C#N)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c(C#N)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3C)c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4n(C)c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4sc3c21
InChIInChI=1S/C99H59F4N15.2C63H35F3N6.2C53H31F3N6.C51H25F3N4S2/c100-58-72-42-25-43-79(99(101,102)103)85(72)73-48-53-84(117-80-49-44-68(95-109-87(60-26-9-1-10-27-60)105-88(110-95)61-28-11-2-12-29-61)54-74(80)75-55-69(45-50-81(75)117)96-111-89(62-30-13-3-14-31-62)106-90(112-96)63-32-15-4-16-33-63)78(59-104)86(73)118-82-51-46-70(97-113-91(64-34-17-5-18-35-64)107-92(114-97)65-36-19-6-20-37-65)56-76(82)77-57-71(47-52-83(77)118)98-115-93(66-38-21-7-22-39-66)108-94(116-98)67-40-23-8-24-41-67;1-67-50-27-17-26-49(63(64,65)66)56(50)48-36-37-55(71-53-30-15-11-24-42(53)46-34-32-44-40-22-9-13-28-51(40)69(59(44)61(46)71)38-18-5-3-6-19-38)57(68-2)58(48)72-54-31-16-12-25-43(54)47-35-33-45-41-23-10-14-29-52(41)70(60(45)62(47)72)39-20-7-4-8-21-39;1-68-49-26-16-25-48(63(64,65)66)57(49)46-33-34-54(71-50-27-12-8-21-40(50)42-31-35-55-58(61(42)71)44-23-10-14-29-52(44)69(55)38-17-4-2-5-18-38)47(37-67)60(46)72-51-28-13-9-22-41(51)43-32-36-56-59(62(43)72)45-24-11-15-30-53(45)70(56)39-19-6-3-7-20-39;1-57-40-19-13-18-39(53(54,55)56)46(40)38-28-29-45(61-43-22-11-7-16-32(43)36-26-24-34-30-14-5-9-20-41(30)59(3)49(34)51(36)61)47(58-2)48(38)62-44-23-12-8-17-33(44)37-27-25-35-31-15-6-10-21-42(31)60(4)50(35)52(37)62;1-58-39-18-12-17-38(53(54,55)56)47(39)36-25-26-44(61-42-21-10-4-13-30(42)32-23-27-45-48(51(32)61)34-15-6-8-19-40(34)59(45)2)37(29-57)50(36)62-43-22-11-5-14-31(43)33-24-28-46-49(52(33)62)35-16-7-9-20-41(35)60(46)3;1-55-38-17-11-16-37(51(52,53)54)44(38)36-26-27-41(57-39-18-7-3-12-28(39)32-22-24-34-30-14-5-9-20-42(30)59-49(34)47(32)57)45(56-2)46(36)58-40-19-8-4-13-29(40)33-23-25-35-31-15-6-10-21-43(31)60-50(35)48(33)58/h1-57H,58H2;3-37H;2-36H;5-29H,3-4H3;4-28H,2-3H3;3-27H
InChIKeyLQPKYDQACJFWRD-UHFFFAOYSA-N
XLogP104.34
TPSA359.53 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds35
Heavy Atoms446
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005833.33
LogP ≤ 5104.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]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 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 159427920) is 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is N#Cc1c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)ccc(-c2c(CF)cccc2C(F)(F)F)c1-n1c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C#N)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4C)c32)c(C#N)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3C)c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(C)c4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4n(C)c3c21.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1ccc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c([N+]#[C-])c1-n1c2ccccc2c2ccc3c4ccccc4sc3c21.
What is the InChIKey of 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is LQPKYDQACJFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H59F4N15.2C63H35F3N6.2C53H31F3N6.C51H25F3N4S2/c100-58-72-42-25-43-79(99(101,102)103)85(72)73-48-53-84(117-80-49-44-68(95-109-87(60-26-9-1-10-27-60)105-88(110-95)61-28-11-2-12-29-61)54-74(80)75-55-69(45-50-81(75)117)96-111-89(62-30-13-3-14-31-62)106-90(112-96)63-32-15-4-16-33-63)78(59-104)86(73)118-82-51-46-70(97-113-91(64-34-17-5-18-35-64)107-92(114-97)65-36-19-6-20-37-65)56-76(82)77-57-71(47-52-83(77)118)98-115-93(66-38-21-7-22-39-66)108-94(116-98)67-40-23-8-24-41-67;1-67-50-27-17-26-49(63(64,65)66)56(50)48-36-37-55(71-53-30-15-11-24-42(53)46-34-32-44-40-22-9-13-28-51(40)69(59(44)61(46)71)38-18-5-3-6-19-38)57(68-2)58(48)72-54-31-16-12-25-43(54)47-35-33-45-41-23-10-14-29-52(41)70(60(45)62(47)72)39-20-7-4-8-21-39;1-68-49-26-16-25-48(63(64,65)66)57(49)46-33-34-54(71-50-27-12-8-21-40(50)42-31-35-55-58(61(42)71)44-23-10-14-29-52(44)69(55)38-17-4-2-5-18-38)47(37-67)60(46)72-51-28-13-9-22-41(51)43-32-36-56-59(62(43)72)45-24-11-15-30-53(45)70(56)39-19-6-3-7-20-39;1-57-40-19-13-18-39(53(54,55)56)46(40)38-28-29-45(61-43-22-11-7-16-32(43)36-26-24-34-30-14-5-9-20-41(30)59(3)49(34)51(36)61)47(58-2)48(38)62-44-23-12-8-17-33(44)37-27-25-35-31-15-6-10-21-42(31)60(4)50(35)52(37)62;1-58-39-18-12-17-38(53(54,55)56)47(39)36-25-26-44(61-42-21-10-4-13-30(42)32-23-27-45-48(51(32)61)34-15-6-8-19-40(34)59(45)2)37(29-57)50(36)62-43-22-11-5-14-31(43)33-24-28-46-49(52(33)62)35-16-7-9-20-41(35)60(46)3;1-55-38-17-11-16-37(51(52,53)54)44(38)36-26-27-41(57-39-18-7-3-12-28(39)32-22-24-34-30-14-5-9-20-42(30)59-49(34)47(32)57)45(56-2)46(36)58-40-19-8-4-13-29(40)33-23-25-35-31-15-6-10-21-43(31)60-50(35)48(33)58/h1-57H,58H2;3-37H;2-36H;5-29H,3-4H3;4-28H,2-3H3;3-27H.
What are the key properties of 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 5833.33 g/mol, XLogP of 104.34, 35 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole;2,6-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-(fluoromethyl)-6-(trifluoromethyl)phenyl]benzonitrile;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-11-methylindolo[2,3-a]carbazole;12-[2-isocyano-4-[2-isocyano-6-(trifluoromethyl)phenyl]-3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile;3-[2-isocyano-6-(trifluoromethyl)phenyl]-2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 159427920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).