(2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide

C42H54N4O7Si2 — CID 59899641

About (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide

(2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide (PubChem CID 59899641) has the molecular formula C42H54N4O7Si2 and a molecular weight of 783.09 g/mol. Its IUPAC name is (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide.

Molecular Properties

• Compound Name: (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide
• PubChem CID: 59899641
• Molecular Formula: C42H54N4O7Si2
• Molecular Weight: 783.09 g/mol
• Exact Mass: 782.35
• IUPAC Name: (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide
• SMILES: C=C(CNC(=O)/C(C#N)=C1\CC(C)(C)c2cc(OC)c(OC)cc21)[Si](C)(C)O[Si](C)(C)C(=C)CNC(=O)/C(C#N)=C1\CC(C)(C)c2cc(OC)c(OC)cc21
• InChI: InChI=1S/C42H54N4O7Si2/c1-25(23-45-39(47)31(21-43)29-19-41(3,4)33-17-37(51-9)35(49-7)15-27(29)33)54(11,12)53-55(13,14)26(2)24-46-40(48)32(22-44)30-20-42(5,6)34-18-38(52-10)36(50-8)16-28(30)34/h15-18H,1-2,19-20,23-24H2,3-14H3,(H,45,47)(H,46,48)/b31-29+,32-30+
• InChIKey: PEHZVCAZPVBGKW-JWTBXLROSA-N
• XLogP: 7.19
• TPSA: 151.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.09
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide?

The IUPAC name of (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide (CID 59899641) is (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide.

What is the SMILES notation for (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide?

The canonical SMILES for (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide is C=C(CNC(=O)/C(C#N)=C1\CC(C)(C)c2cc(OC)c(OC)cc21)[Si](C)(C)O[Si](C)(C)C(=C)CNC(=O)/C(C#N)=C1\CC(C)(C)c2cc(OC)c(OC)cc21.

What is the InChIKey of (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide?

The InChIKey is PEHZVCAZPVBGKW-JWTBXLROSA-N. The full InChI is InChI=1S/C42H54N4O7Si2/c1-25(23-45-39(47)31(21-43)29-19-41(3,4)33-17-37(51-9)35(49-7)15-27(29)33)54(11,12)53-55(13,14)26(2)24-46-40(48)32(22-44)30-20-42(5,6)34-18-38(52-10)36(50-8)16-28(30)34/h15-18H,1-2,19-20,23-24H2,3-14H3,(H,45,47)(H,46,48)/b31-29+,32-30+.

What are the key properties of (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide?

(2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide has a molecular weight of 783.09 g/mol, XLogP of 7.19, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-cyano-N-[2-[[3-[[(2E)-2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetyl]amino]prop-1-en-2-yl-dimethylsilyl]oxy-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide is sourced from PubChem (CID 59899641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).