4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole

C339H211F3N50O2S2 — CID 158513657

IUPAC4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3c(C#N)cccc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C(F)(F)F)c1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(-c3c([N+]#[C-])cccc3-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)c(C)c1.[C-]#[N+]c1cccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccc(-c3nc(C)nc(C)n3)cc2c2cc(-c3nc(C)nc(C)n3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C105H61F3N16.C65H48N16.C57H32N4O2.C57H32N4S2.C55H38N10/c1-110-78-50-51-79(85(62-78)105(106,107)108)72-45-52-90(123-86-53-46-73(101-115-93(64-27-10-2-11-28-64)111-94(116-101)65-29-12-3-13-30-65)58-80(86)81-59-74(47-54-87(81)123)102-117-95(66-31-14-4-15-32-66)112-96(118-102)67-33-16-5-17-34-67)84(57-72)92-77(63-109)43-26-44-91(92)124-88-55-48-75(103-119-97(68-35-18-6-19-36-68)113-98(120-103)69-37-20-7-21-38-69)60-82(88)83-61-76(49-56-89(83)124)104-121-99(70-39-22-8-23-40-70)114-100(122-104)71-41-24-9-25-42-71;1-33-26-42(32-66)14-20-48(33)43-15-21-59(80-55-22-16-44(62-72-34(2)68-35(3)73-62)28-49(55)50-29-45(17-23-56(50)80)63-74-36(4)69-37(5)75-63)53(27-43)61-54(67-10)12-11-13-60(61)81-57-24-18-46(64-76-38(6)70-39(7)77-64)30-51(57)52-31-47(19-25-58(52)81)65-78-40(8)71-41(9)79-65;2*1-33-30-34(32-58)22-24-36(33)35-23-27-47(60-45-17-7-3-14-41(45)54-49(60)28-25-39-37-12-5-9-20-51(37)62-56(39)54)43(31-35)53-44(59-2)16-11-19-48(53)61-46-18-8-4-15-42(46)55-50(61)29-26-40-38-13-6-10-21-52(38)63-57(40)55;1-31-27-39(56-6)22-23-40(31)36-19-24-51(64-47-16-10-8-13-41(47)43-29-37(20-25-49(43)64)54-60-32(2)58-33(3)61-54)45(28-36)53-46(57-7)15-12-18-52(53)65-48-17-11-9-14-42(48)44-30-38(21-26-50(44)65)55-62-34(4)59-35(5)63-55/h2-62H;11-31H,1-9H3;2*3-31H,1H3;8-30H,1-5H3
InChIKeyHLJCSAKQDWWTIJ-UHFFFAOYSA-N
MW5137.89 g/mol
LogP85.21
Rot. Bonds38

About 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole

4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole (PubChem CID 158513657) has the molecular formula C339H211F3N50O2S2 and a molecular weight of 5137.89 g/mol. Its IUPAC name is 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole.

Molecular Properties

Compound Name4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole
PubChem CID158513657
Molecular FormulaC339H211F3N50O2S2
Molecular Weight5137.89 g/mol
Exact Mass5133.73
IUPAC Name4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole
SMILES[C-]#[N+]c1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3c(C#N)cccc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C(F)(F)F)c1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(-c3c([N+]#[C-])cccc3-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)c(C)c1.[C-]#[N+]c1cccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccc(-c3nc(C)nc(C)n3)cc2c2cc(-c3nc(C)nc(C)n3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21
InChIInChI=1S/C105H61F3N16.C65H48N16.C57H32N4O2.C57H32N4S2.C55H38N10/c1-110-78-50-51-79(85(62-78)105(106,107)108)72-45-52-90(123-86-53-46-73(101-115-93(64-27-10-2-11-28-64)111-94(116-101)65-29-12-3-13-30-65)58-80(86)81-59-74(47-54-87(81)123)102-117-95(66-31-14-4-15-32-66)112-96(118-102)67-33-16-5-17-34-67)84(57-72)92-77(63-109)43-26-44-91(92)124-88-55-48-75(103-119-97(68-35-18-6-19-36-68)113-98(120-103)69-37-20-7-21-38-69)60-82(88)83-61-76(49-56-89(83)124)104-121-99(70-39-22-8-23-40-70)114-100(122-104)71-41-24-9-25-42-71;1-33-26-42(32-66)14-20-48(33)43-15-21-59(80-55-22-16-44(62-72-34(2)68-35(3)73-62)28-49(55)50-29-45(17-23-56(50)80)63-74-36(4)69-37(5)75-63)53(27-43)61-54(67-10)12-11-13-60(61)81-57-24-18-46(64-76-38(6)70-39(7)77-64)30-51(57)52-31-47(19-25-58(52)81)65-78-40(8)71-41(9)79-65;2*1-33-30-34(32-58)22-24-36(33)35-23-27-47(60-45-17-7-3-14-41(45)54-49(60)28-25-39-37-12-5-9-20-51(37)62-56(39)54)43(31-35)53-44(59-2)16-11-19-48(53)61-46-18-8-4-15-42(46)55-50(61)29-26-40-38-13-6-10-21-52(38)63-57(40)55;1-31-27-39(56-6)22-23-40(31)36-19-24-51(64-47-16-10-8-13-41(47)43-29-37(20-25-49(43)64)54-60-32(2)58-33(3)61-54)45(28-36)53-46(57-7)15-12-18-52(53)65-48-17-11-9-14-42(48)44-30-38(21-26-50(44)65)55-62-34(4)59-35(5)63-55/h2-62H;11-31H,1-9H3;2*3-31H,1H3;8-30H,1-5H3
InChIKeyHLJCSAKQDWWTIJ-UHFFFAOYSA-N
XLogP85.21
TPSA583.60 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds38
Heavy Atoms396
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005137.89
LogP ≤ 585.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]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-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499324
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
2-[2-[3-[4-[[5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-6-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-10-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]carbazol-9-yl]-5-[2,6-bis(trifluoromethyl)phenyl]phenyl]-3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499628
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
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158578
12-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158580
14-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155159487
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
27-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-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 155160005
18-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-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 155160006

Frequently Asked Questions

What is the IUPAC name of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole?
The IUPAC name of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole (CID 158513657) is 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole.
What is the SMILES notation for 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole?
The canonical SMILES for 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole is [C-]#[N+]c1ccc(-c2ccc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3c(C#N)cccc3-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c2)c(C(F)(F)F)c1.[C-]#[N+]c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c(-c3c([N+]#[C-])cccc3-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)c(C)c1.[C-]#[N+]c1cccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccc(-c3nc(C)nc(C)n3)cc2c2cc(-c3nc(C)nc(C)n3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1-c1cc(-c2ccc(C#N)cc2C)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.
What is the InChIKey of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole?
The InChIKey is HLJCSAKQDWWTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H61F3N16.C65H48N16.C57H32N4O2.C57H32N4S2.C55H38N10/c1-110-78-50-51-79(85(62-78)105(106,107)108)72-45-52-90(123-86-53-46-73(101-115-93(64-27-10-2-11-28-64)111-94(116-101)65-29-12-3-13-30-65)58-80(86)81-59-74(47-54-87(81)123)102-117-95(66-31-14-4-15-32-66)112-96(118-102)67-33-16-5-17-34-67)84(57-72)92-77(63-109)43-26-44-91(92)124-88-55-48-75(103-119-97(68-35-18-6-19-36-68)113-98(120-103)69-37-20-7-21-38-69)60-82(88)83-61-76(49-56-89(83)124)104-121-99(70-39-22-8-23-40-70)114-100(122-104)71-41-24-9-25-42-71;1-33-26-42(32-66)14-20-48(33)43-15-21-59(80-55-22-16-44(62-72-34(2)68-35(3)73-62)28-49(55)50-29-45(17-23-56(50)80)63-74-36(4)69-37(5)75-63)53(27-43)61-54(67-10)12-11-13-60(61)81-57-24-18-46(64-76-38(6)70-39(7)77-64)30-51(57)52-31-47(19-25-58(52)81)65-78-40(8)71-41(9)79-65;2*1-33-30-34(32-58)22-24-36(33)35-23-27-47(60-45-17-7-3-14-41(45)54-49(60)28-25-39-37-12-5-9-20-51(37)62-56(39)54)43(31-35)53-44(59-2)16-11-19-48(53)61-46-18-8-4-15-42(46)55-50(61)29-26-40-38-13-6-10-21-52(38)63-57(40)55;1-31-27-39(56-6)22-23-40(31)36-19-24-51(64-47-16-10-8-13-41(47)43-29-37(20-25-49(43)64)54-60-32(2)58-33(3)61-54)45(28-36)53-46(57-7)15-12-18-52(53)65-48-17-11-9-14-42(48)44-30-38(21-26-50(44)65)55-62-34(4)59-35(5)63-55/h2-62H;11-31H,1-9H3;2*3-31H,1H3;8-30H,1-5H3.
What are the key properties of 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole?
4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole has a molecular weight of 5137.89 g/mol, XLogP of 85.21, 38 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;4-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-isocyanophenyl]phenyl]-3-methylbenzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[4-isocyano-2-(trifluoromethyl)phenyl]phenyl]benzonitrile;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole is sourced from PubChem (CID 158513657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).