8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide

C235H248N16O22S16Si5 — CID 158647001

IUPAC8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide
SMILESCCO[Si](CN(C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(Oc7ccccc7)ccc5n6CC)cc4C)cc3C)cc2C)cc1C)c1ccc([Si](OC)(OC)OC)cc1)(OCC)OCC.CCO[Si](CN(CCCCCCCC(=O)O)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)ccc5n6Cc5ccccc5)cc4C)cc3C)cc2C)cc1C)(OCC)OCC.CCn1c2ccccc2c2cc(-c3cc(C)c(-c4cc(C)c(-c5cc(C)c(-c6cc(C)c(/C=C(\C#N)C(=O)N(CC#N)c7ccc([Si](OC)(OC)OC)cc7)s6)s5)s4)s3)ccc21.[C-]#[N+]/C(C#N)=C\CN(C[Si](OCC)(OCC)OCC)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(N(CC)CC)ccc5n6CC)cc4C)cc3C)cc2C)cc1C
InChIInChI=1S/C72H83N3O6S4Si.C60H63N3O8S4Si2.C54H58N6O4S4Si.C49H44N4O4S4Si/c1-14-79-86(80-15-2,81-16-3)45-74(32-24-19-17-18-23-27-66(76)77)70(78)54(43-73)41-61-46(4)33-63(82-61)67-48(6)35-65(84-67)69-49(7)36-64(85-69)68-47(5)34-62(83-68)52-29-31-60-58(40-52)57-39-51(28-30-59(57)75(60)44-50-25-21-20-22-26-50)53-37-55(71(8,9)10)42-56(38-53)72(11,12)13;1-12-62-50-27-21-42(33-48(50)49-35-46(24-28-51(49)62)71-45-19-17-16-18-20-45)53-30-39(6)58(73-53)55-32-41(8)59(75-55)56-31-40(7)57(74-56)54-29-38(5)52(72-54)34-43(36-61)60(64)63(37-76(68-13-2,69-14-3)70-15-4)44-22-25-47(26-23-44)77(65-9,66-10)67-11;1-12-58(13-2)41-19-21-45-43(30-41)42-28-38(18-20-44(42)60(45)14-3)47-25-35(8)52(66-47)49-27-37(10)53(68-49)50-26-36(9)51(67-50)48-24-34(7)46(65-48)29-39(31-55)54(61)59(23-22-40(32-56)57-11)33-69(62-15-4,63-16-5)64-17-6;1-9-52-39-13-11-10-12-37(39)38-26-33(14-19-40(38)52)42-23-30(3)47(59-42)44-25-32(5)48(61-44)45-24-31(4)46(60-45)43-22-29(2)41(58-43)27-34(28-51)49(54)53(21-20-50)35-15-17-36(18-16-35)62(55-6,56-7)57-8/h20-22,25-26,28-31,33-42H,14-19,23-24,27,32,44-45H2,1-13H3,(H,76,77);16-35H,12-15,37H2,1-11H3;18-22,24-30H,12-17,23,33H2,1-10H3;10-19,22-27H,9,21H2,1-8H3/b54-41+;43-34+;39-29+,40-22-;34-27+
InChIKeyIBBZQFNXCDMFCY-XXPYNEAWSA-N
MW4302.16 g/mol
LogP62.34
Rot. Bonds80

About 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide

8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide (PubChem CID 158647001) has the molecular formula C235H248N16O22S16Si5 and a molecular weight of 4302.16 g/mol. Its IUPAC name is 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide.

Molecular Properties

Compound Name8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide
PubChem CID158647001
Molecular FormulaC235H248N16O22S16Si5
Molecular Weight4302.16 g/mol
Exact Mass4297.32
IUPAC Name8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide
SMILESCCO[Si](CN(C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(Oc7ccccc7)ccc5n6CC)cc4C)cc3C)cc2C)cc1C)c1ccc([Si](OC)(OC)OC)cc1)(OCC)OCC.CCO[Si](CN(CCCCCCCC(=O)O)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)ccc5n6Cc5ccccc5)cc4C)cc3C)cc2C)cc1C)(OCC)OCC.CCn1c2ccccc2c2cc(-c3cc(C)c(-c4cc(C)c(-c5cc(C)c(-c6cc(C)c(/C=C(\C#N)C(=O)N(CC#N)c7ccc([Si](OC)(OC)OC)cc7)s6)s5)s4)s3)ccc21.[C-]#[N+]/C(C#N)=C\CN(C[Si](OCC)(OCC)OCC)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(N(CC)CC)ccc5n6CC)cc4C)cc3C)cc2C)cc1C
InChIInChI=1S/C72H83N3O6S4Si.C60H63N3O8S4Si2.C54H58N6O4S4Si.C49H44N4O4S4Si/c1-14-79-86(80-15-2,81-16-3)45-74(32-24-19-17-18-23-27-66(76)77)70(78)54(43-73)41-61-46(4)33-63(82-61)67-48(6)35-65(84-67)69-49(7)36-64(85-69)68-47(5)34-62(83-68)52-29-31-60-58(40-52)57-39-51(28-30-59(57)75(60)44-50-25-21-20-22-26-50)53-37-55(71(8,9)10)42-56(38-53)72(11,12)13;1-12-62-50-27-21-42(33-48(50)49-35-46(24-28-51(49)62)71-45-19-17-16-18-20-45)53-30-39(6)58(73-53)55-32-41(8)59(75-55)56-31-40(7)57(74-56)54-29-38(5)52(72-54)34-43(36-61)60(64)63(37-76(68-13-2,69-14-3)70-15-4)44-22-25-47(26-23-44)77(65-9,66-10)67-11;1-12-58(13-2)41-19-21-45-43(30-41)42-28-38(18-20-44(42)60(45)14-3)47-25-35(8)52(66-47)49-27-37(10)53(68-49)50-26-36(9)51(67-50)48-24-34(7)46(65-48)29-39(31-55)54(61)59(23-22-40(32-56)57-11)33-69(62-15-4,63-16-5)64-17-6;1-9-52-39-13-11-10-12-37(39)38-26-33(14-19-40(38)52)42-23-30(3)47(59-42)44-25-32(5)48(61-44)45-24-31(4)46(60-45)43-22-29(2)41(58-43)27-34(28-51)49(54)53(21-20-50)35-15-17-36(18-16-35)62(55-6,56-7)57-8/h20-22,25-26,28-31,33-42H,14-19,23-24,27,32,44-45H2,1-13H3,(H,76,77);16-35H,12-15,37H2,1-11H3;18-22,24-30H,12-17,23,33H2,1-10H3;10-19,22-27H,9,21H2,1-8H3/b54-41+;43-34+;39-29+,40-22-;34-27+
InChIKeyIBBZQFNXCDMFCY-XXPYNEAWSA-N
XLogP62.34
TPSA436.28 Ų
H-Bond Donors1
H-Bond Acceptors48
Rotatable Bonds80
Heavy Atoms294
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004302.16
LogP ≤ 562.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1048

Analyze 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide?
The IUPAC name of 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide (CID 158647001) is 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide.
What is the SMILES notation for 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide?
The canonical SMILES for 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide is CCO[Si](CN(C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(Oc7ccccc7)ccc5n6CC)cc4C)cc3C)cc2C)cc1C)c1ccc([Si](OC)(OC)OC)cc1)(OCC)OCC.CCO[Si](CN(CCCCCCCC(=O)O)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)ccc5n6Cc5ccccc5)cc4C)cc3C)cc2C)cc1C)(OCC)OCC.CCn1c2ccccc2c2cc(-c3cc(C)c(-c4cc(C)c(-c5cc(C)c(-c6cc(C)c(/C=C(\C#N)C(=O)N(CC#N)c7ccc([Si](OC)(OC)OC)cc7)s6)s5)s4)s3)ccc21.[C-]#[N+]/C(C#N)=C\CN(C[Si](OCC)(OCC)OCC)C(=O)/C(C#N)=C/c1sc(-c2sc(-c3sc(-c4sc(-c5ccc6c(c5)c5cc(N(CC)CC)ccc5n6CC)cc4C)cc3C)cc2C)cc1C.
What is the InChIKey of 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide?
The InChIKey is IBBZQFNXCDMFCY-XXPYNEAWSA-N. The full InChI is InChI=1S/C72H83N3O6S4Si.C60H63N3O8S4Si2.C54H58N6O4S4Si.C49H44N4O4S4Si/c1-14-79-86(80-15-2,81-16-3)45-74(32-24-19-17-18-23-27-66(76)77)70(78)54(43-73)41-61-46(4)33-63(82-61)67-48(6)35-65(84-67)69-49(7)36-64(85-69)68-47(5)34-62(83-68)52-29-31-60-58(40-52)57-39-51(28-30-59(57)75(60)44-50-25-21-20-22-26-50)53-37-55(71(8,9)10)42-56(38-53)72(11,12)13;1-12-62-50-27-21-42(33-48(50)49-35-46(24-28-51(49)62)71-45-19-17-16-18-20-45)53-30-39(6)58(73-53)55-32-41(8)59(75-55)56-31-40(7)57(74-56)54-29-38(5)52(72-54)34-43(36-61)60(64)63(37-76(68-13-2,69-14-3)70-15-4)44-22-25-47(26-23-44)77(65-9,66-10)67-11;1-12-58(13-2)41-19-21-45-43(30-41)42-28-38(18-20-44(42)60(45)14-3)47-25-35(8)52(66-47)49-27-37(10)53(68-49)50-26-36(9)51(67-50)48-24-34(7)46(65-48)29-39(31-55)54(61)59(23-22-40(32-56)57-11)33-69(62-15-4,63-16-5)64-17-6;1-9-52-39-13-11-10-12-37(39)38-26-33(14-19-40(38)52)42-23-30(3)47(59-42)44-25-32(5)48(61-44)45-24-31(4)46(60-45)43-22-29(2)41(58-43)27-34(28-51)49(54)53(21-20-50)35-15-17-36(18-16-35)62(55-6,56-7)57-8/h20-22,25-26,28-31,33-42H,14-19,23-24,27,32,44-45H2,1-13H3,(H,76,77);16-35H,12-15,37H2,1-11H3;18-22,24-30H,12-17,23,33H2,1-10H3;10-19,22-27H,9,21H2,1-8H3/b54-41+;43-34+;39-29+,40-22-;34-27+.
What are the key properties of 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide?
8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide has a molecular weight of 4302.16 g/mol, XLogP of 62.34, 80 rotatable bonds, 1 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(E)-3-[5-[5-[5-[5-[9-benzyl-6-(3,5-ditert-butylphenyl)carbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2-cyanoprop-2-enoyl]-(triethoxysilylmethyl)amino]octanoic acid;(E)-2-cyano-N-[(Z)-3-cyano-3-isocyanoprop-2-enyl]-3-[5-[5-[5-[5-[6-(diethylamino)-9-ethylcarbazol-3-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)prop-2-enamide;(E)-2-cyano-N-(cyanomethyl)-3-[5-[5-[5-[5-(9-ethylcarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(4-trimethoxysilylphenyl)prop-2-enamide;(E)-2-cyano-3-[5-[5-[5-[5-(9-ethyl-6-phenoxycarbazol-3-yl)-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-3-methylthiophen-2-yl]-N-(triethoxysilylmethyl)-N-(4-trimethoxysilylphenyl)prop-2-enamide is sourced from PubChem (CID 158647001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).