tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide

C67H51Cl8N21O5 — CID 175653164

About tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide

tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide (PubChem CID 175653164) has the molecular formula C67H51Cl8N21O5 and a molecular weight of 1513.91 g/mol. Its IUPAC name is tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide.

Molecular Properties

• Compound Name: tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide
• PubChem CID: 175653164
• Molecular Formula: C67H51Cl8N21O5
• Molecular Weight: 1513.91 g/mol
• Exact Mass: 1509.19
• IUPAC Name: tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide
• SMILES: CN(C)C=O.O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1.O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1.O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1.O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1
• InChI: InChI=1S/4C16H11Cl2N5O.C3H7NO/c4*17-12-3-1-11(15(18)9-12)2-8-16(24)20-13-4-6-14(7-5-13)23-10-19-21-22-23;1-4(2)3-5/h4*1-10H,(H,20,24);3H,1-2H3/b4*8-2+
• InChIKey: JZFWJUYDNVUKRK-RIMINLFSSA-N
• XLogP: 14.19
• TPSA: 311.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1513.91
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide?

The IUPAC name of tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide (CID 175653164) is tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide.

What is the SMILES notation for tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide?

The canonical SMILES for tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide is CN(C)C=O.O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1.O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1.O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1.O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-n2cnnn2)cc1.

What is the InChIKey of tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide?

The InChIKey is JZFWJUYDNVUKRK-RIMINLFSSA-N. The full InChI is InChI=1S/4C16H11Cl2N5O.C3H7NO/c4*17-12-3-1-11(15(18)9-12)2-8-16(24)20-13-4-6-14(7-5-13)23-10-19-21-22-23;1-4(2)3-5/h4*1-10H,(H,20,24);3H,1-2H3/b4*8-2+;.

What are the key properties of tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide?

tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide has a molecular weight of 1513.91 g/mol, XLogP of 14.19, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((E)-3-(2,4-dichlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide);N,N-dimethylformamide is sourced from PubChem (CID 175653164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).