(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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide

C242H253N17O23S17Si5 — CID 159889049

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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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](CN(CC(=O)O)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(OC)ccc5n6CC)cc4C)cc3C)cc2C)cc1C)(OCC)OCC.CCO[Si](CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6CC)s4)s3)s2)s1)(OCC)OCC.[C-]#[N+]/C(=C\c1sc(-c2sc(-c3sc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)cc2C)cc1C)C(=O)NC[Si](OCC)(OCC)OCC
InChIInChI=1S/C67H73N5O4S4Si.C48H51N3O7S4Si.C45H41N3O4S4Si.C44H43N3O4S3Si.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;1-10-51-37-16-14-32(22-35(37)36-24-34(55-9)15-17-38(36)51)40-19-29(6)46(60-40)42-21-31(8)47(62-42)43-20-30(7)45(61-43)41-18-28(5)39(59-41)23-33(25-49)48(54)50(26-44(52)53)27-63(56-11-2,57-12-3)58-13-4;1-5-48-35-16-14-30(26-34(35)44-33-12-10-9-11-29(33)13-17-36(44)48)37-19-20-40(54-37)41-23-24-43(56-41)42-22-21-39(55-42)38-18-15-32(53-38)25-31(27-46)45(49)47-28-57(50-6-2,51-7-3)52-8-4;1-8-49-55(50-9-2,51-10-3)27-46-44(48)35(45-7)26-38-28(4)22-40(52-38)42-30(6)24-41(54-42)43-29(5)23-39(53-43)31-20-21-37-34(25-31)33-18-14-15-19-36(33)47(37)32-16-12-11-13-17-32;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;14-24H,10-13,26-27H2,1-9H3,(H,52,53);9-26H,5-8,28H2,1-4H3,(H,47,49);11-26H,8-10,27H2,1-6H3,(H,46,48);11-16,20-23H,7-10,17-19,25H2,1-6H3,(H,40,42)/b52-40+;33-23+;31-25+;35-26-;29-22+
InChIKeyNUMVLXVJOFMQLQ-YPBSJNLLSA-N
MW4453.35 g/mol
LogP64.59
Rot. Bonds88

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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide (PubChem CID 159889049) has the molecular formula C242H253N17O23S17Si5 and a molecular weight of 4453.35 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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide
PubChem CID159889049
Molecular FormulaC242H253N17O23S17Si5
Molecular Weight4453.35 g/mol
Exact Mass4448.32
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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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](CN(CC(=O)O)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(OC)ccc5n6CC)cc4C)cc3C)cc2C)cc1C)(OCC)OCC.CCO[Si](CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6CC)s4)s3)s2)s1)(OCC)OCC.[C-]#[N+]/C(=C\c1sc(-c2sc(-c3sc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)cc2C)cc1C)C(=O)NC[Si](OCC)(OCC)OCC
InChIInChI=1S/C67H73N5O4S4Si.C48H51N3O7S4Si.C45H41N3O4S4Si.C44H43N3O4S3Si.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;1-10-51-37-16-14-32(22-35(37)36-24-34(55-9)15-17-38(36)51)40-19-29(6)46(60-40)42-21-31(8)47(62-42)43-20-30(7)45(61-43)41-18-28(5)39(59-41)23-33(25-49)48(54)50(26-44(52)53)27-63(56-11-2,57-12-3)58-13-4;1-5-48-35-16-14-30(26-34(35)44-33-12-10-9-11-29(33)13-17-36(44)48)37-19-20-40(54-37)41-23-24-43(56-41)42-22-21-39(55-42)38-18-15-32(53-38)25-31(27-46)45(49)47-28-57(50-6-2,51-7-3)52-8-4;1-8-49-55(50-9-2,51-10-3)27-46-44(48)35(45-7)26-38-28(4)22-40(52-38)42-30(6)24-41(54-42)43-29(5)23-39(53-43)31-20-21-37-34(25-31)33-18-14-15-19-36(33)47(37)32-16-12-11-13-17-32;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;14-24H,10-13,26-27H2,1-9H3,(H,52,53);9-26H,5-8,28H2,1-4H3,(H,47,49);11-26H,8-10,27H2,1-6H3,(H,46,48);11-16,20-23H,7-10,17-19,25H2,1-6H3,(H,40,42)/b52-40+;33-23+;31-25+;35-26-;29-22+
InChIKeyNUMVLXVJOFMQLQ-YPBSJNLLSA-N
XLogP64.59
TPSA464.10 Ų
H-Bond Donors4
H-Bond Acceptors50
Rotatable Bonds88
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004453.35
LogP ≤ 564.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1050

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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide (CID 159889049) 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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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](CN(CC(=O)O)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(OC)ccc5n6CC)cc4C)cc3C)cc2C)cc1C)(OCC)OCC.CCO[Si](CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7ccc5n6CC)s4)s3)s2)s1)(OCC)OCC.[C-]#[N+]/C(=C\c1sc(-c2sc(-c3sc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3C)cc2C)cc1C)C(=O)NC[Si](OCC)(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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide?
The InChIKey is NUMVLXVJOFMQLQ-YPBSJNLLSA-N. The full InChI is InChI=1S/C67H73N5O4S4Si.C48H51N3O7S4Si.C45H41N3O4S4Si.C44H43N3O4S3Si.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;1-10-51-37-16-14-32(22-35(37)36-24-34(55-9)15-17-38(36)51)40-19-29(6)46(60-40)42-21-31(8)47(62-42)43-20-30(7)45(61-43)41-18-28(5)39(59-41)23-33(25-49)48(54)50(26-44(52)53)27-63(56-11-2,57-12-3)58-13-4;1-5-48-35-16-14-30(26-34(35)44-33-12-10-9-11-29(33)13-17-36(44)48)37-19-20-40(54-37)41-23-24-43(56-41)42-22-21-39(55-42)38-18-15-32(53-38)25-31(27-46)45(49)47-28-57(50-6-2,51-7-3)52-8-4;1-8-49-55(50-9-2,51-10-3)27-46-44(48)35(45-7)26-38-28(4)22-40(52-38)42-30(6)24-41(54-42)43-29(5)23-39(53-43)31-20-21-37-34(25-31)33-18-14-15-19-36(33)47(37)32-16-12-11-13-17-32;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;14-24H,10-13,26-27H2,1-9H3,(H,52,53);9-26H,5-8,28H2,1-4H3,(H,47,49);11-26H,8-10,27H2,1-6H3,(H,46,48);11-16,20-23H,7-10,17-19,25H2,1-6H3,(H,40,42)/b52-40+;33-23+;31-25+;35-26-;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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide has a molecular weight of 4453.35 g/mol, XLogP of 64.59, 88 rotatable bonds, 4 hydrogen bond donors, and 50 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-(7-ethylbenzo[c]carbazol-10-yl)thiophen-2-yl]thiophen-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;2-[[(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-methoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]prop-2-enoyl]-(triethoxysilylmethyl)amino]acetic acid;(Z)-2-isocyano-3-[3-methyl-5-[3-methyl-5-[3-methyl-5-(9-phenylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide is sourced from PubChem (CID 159889049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).