bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile

C247H262N18O12S6Si3 — CID 158752423

IUPACbis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile
SMILES[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3cc4c5c(c3OC)CCCN5CCC4)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3cc4c5c(c3OC)CCCN5CCC4)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3cc4c5c(c3OC)CCCN5CCC4)s2)C(C)(c2ccccc2)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3ccc(N(CCCC)CCCC)cc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3ccc(N(CCCC)CCCC)cc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3ccc(N(CCCC)CCCC)cc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C(C)(c2ccccc2)O/C1=C(\C)C#N
InChIInChI=1S/C53H57N3O2SSi.2C48H55N3O2SSi.C36H33N3O2S.2C31H31N3O2S/c1-9-11-36-56(37-12-10-2)43-30-28-41(49(38-43)58-60(52(4,5)6,46-24-18-14-19-25-46)47-26-20-15-21-27-47)29-31-44-32-33-45(59-44)34-35-48-50(55-8)51(40(3)39-54)57-53(48,7)42-22-16-13-17-23-42;2*1-10-12-32-51(33-13-11-2)38-26-24-37(44(34-38)53-55(47(4,5)6,41-20-16-14-17-21-41)42-22-18-15-19-23-42)25-27-39-28-29-40(54-39)30-31-43-45(50-9)46(36(3)35-49)52-48(43,7)8;1-24(23-37)34-32(38-3)31(36(2,41-34)27-11-6-5-7-12-27)19-18-29-17-16-28(42-29)15-14-26-22-25-10-8-20-39-21-9-13-30(33(25)39)35(26)40-4;2*1-20(19-32)29-27(33-4)26(31(2,3)36-29)15-14-24-13-12-23(37-24)11-10-22-18-21-8-6-16-34-17-7-9-25(28(21)34)30(22)35-5/h13-35,38H,9-12,36-37H2,1-7H3;2*14-31,34H,10-13,32-33H2,1-8H3;5-7,11-12,14-19,22H,8-10,13,20-21H2,1-2,4H3;2*10-15,18H,6-9,16-17H2,1-3,5H3/b31-29+,35-34+,51-40+;2*27-25+,31-30+,46-36+;15-14+,19-18+,34-24+;2*11-10+,15-14+,29-20+
InChIKeyINQMQBFILQVJFV-QOMQOIFYSA-N
MW3951.59 g/mol
LogP60.70
Rot. Bonds62

About bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile

bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile (PubChem CID 158752423) has the molecular formula C247H262N18O12S6Si3 and a molecular weight of 3951.59 g/mol. Its IUPAC name is bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile.

Molecular Properties

Compound Namebis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile
PubChem CID158752423
Molecular FormulaC247H262N18O12S6Si3
Molecular Weight3951.59 g/mol
Exact Mass3947.81
IUPAC Namebis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile
SMILES[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3cc4c5c(c3OC)CCCN5CCC4)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3cc4c5c(c3OC)CCCN5CCC4)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3cc4c5c(c3OC)CCCN5CCC4)s2)C(C)(c2ccccc2)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3ccc(N(CCCC)CCCC)cc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3ccc(N(CCCC)CCCC)cc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3ccc(N(CCCC)CCCC)cc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C(C)(c2ccccc2)O/C1=C(\C)C#N
InChIInChI=1S/C53H57N3O2SSi.2C48H55N3O2SSi.C36H33N3O2S.2C31H31N3O2S/c1-9-11-36-56(37-12-10-2)43-30-28-41(49(38-43)58-60(52(4,5)6,46-24-18-14-19-25-46)47-26-20-15-21-27-47)29-31-44-32-33-45(59-44)34-35-48-50(55-8)51(40(3)39-54)57-53(48,7)42-22-16-13-17-23-42;2*1-10-12-32-51(33-13-11-2)38-26-24-37(44(34-38)53-55(47(4,5)6,41-20-16-14-17-21-41)42-22-18-15-19-23-42)25-27-39-28-29-40(54-39)30-31-43-45(50-9)46(36(3)35-49)52-48(43,7)8;1-24(23-37)34-32(38-3)31(36(2,41-34)27-11-6-5-7-12-27)19-18-29-17-16-28(42-29)15-14-26-22-25-10-8-20-39-21-9-13-30(33(25)39)35(26)40-4;2*1-20(19-32)29-27(33-4)26(31(2,3)36-29)15-14-24-13-12-23(37-24)11-10-22-18-21-8-6-16-34-17-7-9-25(28(21)34)30(22)35-5/h13-35,38H,9-12,36-37H2,1-7H3;2*14-31,34H,10-13,32-33H2,1-8H3;5-7,11-12,14-19,22H,8-10,13,20-21H2,1-2,4H3;2*10-15,18H,6-9,16-17H2,1-3,5H3/b31-29+,35-34+,51-40+;2*27-25+,31-30+,46-36+;15-14+,19-18+,34-24+;2*11-10+,15-14+,29-20+
InChIKeyINQMQBFILQVJFV-QOMQOIFYSA-N
XLogP60.70
TPSA299.10 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds62
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003951.59
LogP ≤ 560.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile?
The IUPAC name of bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile (CID 158752423) is bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile.
What is the SMILES notation for bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile?
The canonical SMILES for bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile is [C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3cc4c5c(c3OC)CCCN5CCC4)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3cc4c5c(c3OC)CCCN5CCC4)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3cc4c5c(c3OC)CCCN5CCC4)s2)C(C)(c2ccccc2)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3ccc(N(CCCC)CCCC)cc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3ccc(N(CCCC)CCCC)cc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C(C)(C)O/C1=C(\C)C#N.[C-]#[N+]C1=C(/C=C/c2ccc(/C=C/c3ccc(N(CCCC)CCCC)cc3O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)s2)C(C)(c2ccccc2)O/C1=C(\C)C#N.
What is the InChIKey of bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile?
The InChIKey is INQMQBFILQVJFV-QOMQOIFYSA-N. The full InChI is InChI=1S/C53H57N3O2SSi.2C48H55N3O2SSi.C36H33N3O2S.2C31H31N3O2S/c1-9-11-36-56(37-12-10-2)43-30-28-41(49(38-43)58-60(52(4,5)6,46-24-18-14-19-25-46)47-26-20-15-21-27-47)29-31-44-32-33-45(59-44)34-35-48-50(55-8)51(40(3)39-54)57-53(48,7)42-22-16-13-17-23-42;2*1-10-12-32-51(33-13-11-2)38-26-24-37(44(34-38)53-55(47(4,5)6,41-20-16-14-17-21-41)42-22-18-15-19-23-42)25-27-39-28-29-40(54-39)30-31-43-45(50-9)46(36(3)35-49)52-48(43,7)8;1-24(23-37)34-32(38-3)31(36(2,41-34)27-11-6-5-7-12-27)19-18-29-17-16-28(42-29)15-14-26-22-25-10-8-20-39-21-9-13-30(33(25)39)35(26)40-4;2*1-20(19-32)29-27(33-4)26(31(2,3)36-29)15-14-24-13-12-23(37-24)11-10-22-18-21-8-6-16-34-17-7-9-25(28(21)34)30(22)35-5/h13-35,38H,9-12,36-37H2,1-7H3;2*14-31,34H,10-13,32-33H2,1-8H3;5-7,11-12,14-19,22H,8-10,13,20-21H2,1-2,4H3;2*10-15,18H,6-9,16-17H2,1-3,5H3/b31-29+,35-34+,51-40+;2*27-25+,31-30+,46-36+;15-14+,19-18+,34-24+;2*11-10+,15-14+,29-20+.
What are the key properties of bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile?
bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile has a molecular weight of 3951.59 g/mol, XLogP of 60.70, 62 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[4-[(E)-2-[5-[(E)-2-[2-[tert-butyl(diphenyl)silyl]oxy-4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethenyl]-3-isocyano-5-methyl-5-phenylfuran-2-ylidene]propanenitrile;bis((2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5,5-dimethylfuran-2-ylidene]propanenitrile);(2E)-2-[3-isocyano-4-[(E)-2-[5-[(E)-2-(6-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)ethenyl]thiophen-2-yl]ethenyl]-5-methyl-5-phenylfuran-2-ylidene]propanenitrile is sourced from PubChem (CID 158752423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).