(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]oxymethyl-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide

C43H56N4O7Si2 — CID 59899647

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]oxymethyl-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]oxymethyl-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide (PubChem CID 59899647) has the molecular formula C43H56N4O7Si2 and a molecular weight of 797.11 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]oxymethyl-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]oxymethyl-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide
• PubChem CID: 59899647
• Molecular Formula: C43H56N4O7Si2
• Molecular Weight: 797.11 g/mol
• Exact Mass: 796.37
• 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]oxymethyl-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)CO[Si](C)(C)C(=C)CNC(=O)/C(C#N)=C1\CC(C)(C)c2cc(OC)c(OC)cc21
• InChI: InChI=1S/C43H56N4O7Si2/c1-26(23-46-40(48)32(21-44)30-19-42(3,4)34-17-38(52-9)36(50-7)15-28(30)34)55(11,12)25-54-56(13,14)27(2)24-47-41(49)33(22-45)31-20-43(5,6)35-18-39(53-10)37(51-8)16-29(31)35/h15-18H,1-2,19-20,23-25H2,3-14H3,(H,46,48)(H,47,49)/b32-30+,33-31+
• InChIKey: OMXNWDAOMVHGBZ-RRPBDJRISA-N
• XLogP: 7.23
• TPSA: 151.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.11
LogP ≤ 5	7.23
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]oxymethyl-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]oxymethyl-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide (CID 59899647) 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]oxymethyl-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]oxymethyl-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]oxymethyl-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)CO[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]oxymethyl-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide?

The InChIKey is OMXNWDAOMVHGBZ-RRPBDJRISA-N. The full InChI is InChI=1S/C43H56N4O7Si2/c1-26(23-46-40(48)32(21-44)30-19-42(3,4)34-17-38(52-9)36(50-7)15-28(30)34)55(11,12)25-54-56(13,14)27(2)24-47-41(49)33(22-45)31-20-43(5,6)35-18-39(53-10)37(51-8)16-29(31)35/h15-18H,1-2,19-20,23-25H2,3-14H3,(H,46,48)(H,47,49)/b32-30+,33-31+.

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]oxymethyl-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]oxymethyl-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide has a molecular weight of 797.11 g/mol, XLogP of 7.23, 15 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]oxymethyl-dimethylsilyl]prop-2-enyl]-2-(5,6-dimethoxy-3,3-dimethyl-2H-inden-1-ylidene)acetamide is sourced from PubChem (CID 59899647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).