(E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide

C30H22Br2N4O2 — CID 6282998

About (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide

(E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide (PubChem CID 6282998) has the molecular formula C30H22Br2N4O2 and a molecular weight of 630.34 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
• PubChem CID: 6282998
• Molecular Formula: C30H22Br2N4O2
• Molecular Weight: 630.34 g/mol
• Exact Mass: 628.01
• IUPAC Name: (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
• SMILES: O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)/C=C/c2ccc(Br)cc2)c1
• InChI: InChI=1S/C30H22Br2N4O2/c31-23-12-6-21(7-13-23)10-18-29(37)33-26-16-17-27(36-35-25-4-2-1-3-5-25)28(20-26)34-30(38)19-11-22-8-14-24(32)15-9-22/h1-20H,(H,33,37)(H,34,38)/b18-10+,19-11+,36-35+
• InChIKey: GMWHTQMDCXJXDI-FNWGJVEASA-N
• XLogP: 8.93
• TPSA: 82.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.34
LogP ≤ 5	8.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide?

The IUPAC name of (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide (CID 6282998) is (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide.

What is the SMILES notation for (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide?

The canonical SMILES for (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)/C=C/c2ccc(Br)cc2)c1.

What is the InChIKey of (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide?

The InChIKey is GMWHTQMDCXJXDI-FNWGJVEASA-N. The full InChI is InChI=1S/C30H22Br2N4O2/c31-23-12-6-21(7-13-23)10-18-29(37)33-26-16-17-27(36-35-25-4-2-1-3-5-25)28(20-26)34-30(38)19-11-22-8-14-24(32)15-9-22/h1-20H,(H,33,37)(H,34,38)/b18-10+,19-11+,36-35+.

What are the key properties of (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide?

(E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide has a molecular weight of 630.34 g/mol, XLogP of 8.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide is sourced from PubChem (CID 6282998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).