(E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide

C261H297N17O28S18Si7 — CID 159370654

IUPAC(E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide
SMILESCCCO[Si](CNC(=O)/C(C#N)=C/c1cc(C)c(-c2cc(C)c(-c3ccc4c(c3)c3ccccc3n4CC)s2)s1)(OCCC)OCCC.CCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(-c7ccc(N(C)C)cc7)ccc5n6C)cc4CCC)cc3CCC)cc2CCC)sc1/C=C(\C#N)C(=O)N(C[Si](OCC)(OCC)OCC)c1cccc(C#N)c1.CCO[Si](CCCN(C[Si](OCC)(OCC)OCC)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(CC)ccc5n6CC)cc4C)cc3C)cc2C)cc1C)(OCC)OCC.CCO[Si](CN(C[Si](OCC)(OCC)OCC)C(=O)/C(C#N)=C/c1sc(-c2ccc(-c3ccc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CCC(C)C)c5c4OCCO5)s3)s2)cc1C)(OCC)OCC.CCO[Si](CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6CC)s4)cc3C)s2)s1)(OCC)OCC
InChIInChI=1S/C67H73N5O4S4Si.C56H71N3O7S4Si2.C54H65N3O9S4Si2.C46H43N3O4S4Si.C38H45N3O4S2Si/c1-11-19-47-36-61(77-59(47)40-52(42-69)67(73)72(54-24-18-23-44(33-54)41-68)43-81(74-15-5,75-16-6)76-17-7)64-50(21-13-3)38-63(79-64)66-51(22-14-4)39-62(80-66)65-49(20-12-2)37-60(78-65)48-28-32-58-56(35-48)55-34-46(27-31-57(55)71(58)10)45-25-29-53(30-26-45)70(8)9;1-13-41-22-24-46-44(32-41)45-33-42(23-25-47(45)59(46)14-2)49-29-38(10)54(68-49)51-31-40(12)55(70-51)52-30-39(11)53(69-52)50-28-37(9)48(67-50)34-43(35-57)56(60)58(36-72(64-18-6,65-19-7)66-20-8)26-21-27-71(61-15-3,62-16-4)63-17-5;1-10-61-71(62-11-2,63-12-3)34-56(35-72(64-13-4,65-14-5)66-15-6)54(58)39(33-55)32-48-37(9)30-49(69-48)46-23-22-44(67-46)45-24-25-47(68-45)53-51-50(59-28-29-60-51)52(70-53)38-20-21-43-41(31-38)40-18-16-17-19-42(40)57(43)27-26-36(7)8;1-6-49-36-17-15-31(26-35(36)44-34-13-11-10-12-30(34)14-18-37(44)49)38-20-21-41(55-38)43-24-29(5)45(57-43)42-23-22-40(56-42)39-19-16-33(54-39)25-32(27-47)46(50)48-28-58(51-7-2,52-8-3)53-9-4;1-7-17-43-48(44-18-8-2,45-19-9-3)25-40-38(42)29(24-39)22-30-20-26(5)37(46-30)35-21-27(6)36(47-35)28-15-16-34-32(23-28)31-13-11-12-14-33(31)41(34)10-4/h18,23-40H,11-17,19-22,43H2,1-10H3;22-25,28-34H,13-21,26-27,36H2,1-12H3;16-25,30-32,36H,10-15,26-29,34-35H2,1-9H3;10-26H,6-9,28H2,1-5H3,(H,48,50);11-16,20-23H,7-10,17-19,25H2,1-6H3,(H,40,42)/b52-40+;43-34+;39-32+;32-25+;29-22+
InChIKeyLJRUODZWXGCCCW-MBYOKBHISA-N
MW4894.15 g/mol
LogP69.69
Rot. Bonds107

About (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide

(E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide (PubChem CID 159370654) has the molecular formula C261H297N17O28S18Si7 and a molecular weight of 4894.15 g/mol. Its IUPAC name is (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide
PubChem CID159370654
Molecular FormulaC261H297N17O28S18Si7
Molecular Weight4894.15 g/mol
Exact Mass4888.57
IUPAC Name(E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide
SMILESCCCO[Si](CNC(=O)/C(C#N)=C/c1cc(C)c(-c2cc(C)c(-c3ccc4c(c3)c3ccccc3n4CC)s2)s1)(OCCC)OCCC.CCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(-c7ccc(N(C)C)cc7)ccc5n6C)cc4CCC)cc3CCC)cc2CCC)sc1/C=C(\C#N)C(=O)N(C[Si](OCC)(OCC)OCC)c1cccc(C#N)c1.CCO[Si](CCCN(C[Si](OCC)(OCC)OCC)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(CC)ccc5n6CC)cc4C)cc3C)cc2C)cc1C)(OCC)OCC.CCO[Si](CN(C[Si](OCC)(OCC)OCC)C(=O)/C(C#N)=C/c1sc(-c2ccc(-c3ccc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CCC(C)C)c5c4OCCO5)s3)s2)cc1C)(OCC)OCC.CCO[Si](CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6CC)s4)cc3C)s2)s1)(OCC)OCC
InChIInChI=1S/C67H73N5O4S4Si.C56H71N3O7S4Si2.C54H65N3O9S4Si2.C46H43N3O4S4Si.C38H45N3O4S2Si/c1-11-19-47-36-61(77-59(47)40-52(42-69)67(73)72(54-24-18-23-44(33-54)41-68)43-81(74-15-5,75-16-6)76-17-7)64-50(21-13-3)38-63(79-64)66-51(22-14-4)39-62(80-66)65-49(20-12-2)37-60(78-65)48-28-32-58-56(35-48)55-34-46(27-31-57(55)71(58)10)45-25-29-53(30-26-45)70(8)9;1-13-41-22-24-46-44(32-41)45-33-42(23-25-47(45)59(46)14-2)49-29-38(10)54(68-49)51-31-40(12)55(70-51)52-30-39(11)53(69-52)50-28-37(9)48(67-50)34-43(35-57)56(60)58(36-72(64-18-6,65-19-7)66-20-8)26-21-27-71(61-15-3,62-16-4)63-17-5;1-10-61-71(62-11-2,63-12-3)34-56(35-72(64-13-4,65-14-5)66-15-6)54(58)39(33-55)32-48-37(9)30-49(69-48)46-23-22-44(67-46)45-24-25-47(68-45)53-51-50(59-28-29-60-51)52(70-53)38-20-21-43-41(31-38)40-18-16-17-19-42(40)57(43)27-26-36(7)8;1-6-49-36-17-15-31(26-35(36)44-34-13-11-10-12-30(34)14-18-37(44)49)38-20-21-41(55-38)43-24-29(5)45(57-43)42-23-22-40(56-42)39-19-16-33(54-39)25-32(27-47)46(50)48-28-58(51-7-2,52-8-3)53-9-4;1-7-17-43-48(44-18-8-2,45-19-9-3)25-40-38(42)29(24-39)22-30-20-26(5)37(46-30)35-21-27(6)36(47-35)28-15-16-34-32(23-28)31-13-11-12-14-33(31)41(34)10-4/h18,23-40H,11-17,19-22,43H2,1-10H3;22-25,28-34H,13-21,26-27,36H2,1-12H3;16-25,30-32,36H,10-15,26-29,34-35H2,1-9H3;10-26H,6-9,28H2,1-5H3,(H,48,50);11-16,20-23H,7-10,17-19,25H2,1-6H3,(H,40,42)/b52-40+;43-34+;39-32+;32-25+;29-22+
InChIKeyLJRUODZWXGCCCW-MBYOKBHISA-N
XLogP69.69
TPSA502.05 Ų
H-Bond Donors2
H-Bond Acceptors58
Rotatable Bonds107
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004894.15
LogP ≤ 569.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1058

Analyze (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide (CID 159370654) is (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide is CCCO[Si](CNC(=O)/C(C#N)=C/c1cc(C)c(-c2cc(C)c(-c3ccc4c(c3)c3ccccc3n4CC)s2)s1)(OCCC)OCCC.CCCc1cc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(-c7ccc(N(C)C)cc7)ccc5n6C)cc4CCC)cc3CCC)cc2CCC)sc1/C=C(\C#N)C(=O)N(C[Si](OCC)(OCC)OCC)c1cccc(C#N)c1.CCO[Si](CCCN(C[Si](OCC)(OCC)OCC)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(CC)ccc5n6CC)cc4C)cc3C)cc2C)cc1C)(OCC)OCC.CCO[Si](CN(C[Si](OCC)(OCC)OCC)C(=O)/C(C#N)=C/c1sc(-c2ccc(-c3ccc(-c4sc(-c5ccc6c(c5)c5ccccc5n6CCC(C)C)c5c4OCCO5)s3)s2)cc1C)(OCC)OCC.CCO[Si](CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6CC)s4)cc3C)s2)s1)(OCC)OCC.
What is the InChIKey of (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide?
The InChIKey is LJRUODZWXGCCCW-MBYOKBHISA-N. The full InChI is InChI=1S/C67H73N5O4S4Si.C56H71N3O7S4Si2.C54H65N3O9S4Si2.C46H43N3O4S4Si.C38H45N3O4S2Si/c1-11-19-47-36-61(77-59(47)40-52(42-69)67(73)72(54-24-18-23-44(33-54)41-68)43-81(74-15-5,75-16-6)76-17-7)64-50(21-13-3)38-63(79-64)66-51(22-14-4)39-62(80-66)65-49(20-12-2)37-60(78-65)48-28-32-58-56(35-48)55-34-46(27-31-57(55)71(58)10)45-25-29-53(30-26-45)70(8)9;1-13-41-22-24-46-44(32-41)45-33-42(23-25-47(45)59(46)14-2)49-29-38(10)54(68-49)51-31-40(12)55(70-51)52-30-39(11)53(69-52)50-28-37(9)48(67-50)34-43(35-57)56(60)58(36-72(64-18-6,65-19-7)66-20-8)26-21-27-71(61-15-3,62-16-4)63-17-5;1-10-61-71(62-11-2,63-12-3)34-56(35-72(64-13-4,65-14-5)66-15-6)54(58)39(33-55)32-48-37(9)30-49(69-48)46-23-22-44(67-46)45-24-25-47(68-45)53-51-50(59-28-29-60-51)52(70-53)38-20-21-43-41(31-38)40-18-16-17-19-42(40)57(43)27-26-36(7)8;1-6-49-36-17-15-31(26-35(36)44-34-13-11-10-12-30(34)14-18-37(44)49)38-20-21-41(55-38)43-24-29(5)45(57-43)42-23-22-40(56-42)39-19-16-33(54-39)25-32(27-47)46(50)48-28-58(51-7-2,52-8-3)53-9-4;1-7-17-43-48(44-18-8-2,45-19-9-3)25-40-38(42)29(24-39)22-30-20-26(5)37(46-30)35-21-27(6)36(47-35)28-15-16-34-32(23-28)31-13-11-12-14-33(31)41(34)10-4/h18,23-40H,11-17,19-22,43H2,1-10H3;22-25,28-34H,13-21,26-27,36H2,1-12H3;16-25,30-32,36H,10-15,26-29,34-35H2,1-9H3;10-26H,6-9,28H2,1-5H3,(H,48,50);11-16,20-23H,7-10,17-19,25H2,1-6H3,(H,40,42)/b52-40+;43-34+;39-32+;32-25+;29-22+.
What are the key properties of (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide?
(E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide has a molecular weight of 4894.15 g/mol, XLogP of 69.69, 107 rotatable bonds, 2 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(3-cyanophenyl)-3-[5-[5-[5-[5-[6-[4-(dimethylamino)phenyl]-9-methylcarbazol-3-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-3-propylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(6,9-diethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(3-triethoxysilylpropyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]-3-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-(9-ethylcarbazol-3-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-N-(tripropoxysilylmethyl)prop-2-enamide;(E)-2-cyano-3-[3-methyl-5-[5-[5-[7-[9-(3-methylbutyl)carbazol-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N,N-bis(triethoxysilylmethyl)prop-2-enamide is sourced from PubChem (CID 159370654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).