(E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

C77H54Br5N3O3 — CID 158844692

About (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide

(E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (PubChem CID 158844692) has the molecular formula C77H54Br5N3O3 and a molecular weight of 1468.82 g/mol. Its IUPAC name is (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.

Molecular Properties

• Compound Name: (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
• PubChem CID: 158844692
• Molecular Formula: C77H54Br5N3O3
• Molecular Weight: 1468.82 g/mol
• Exact Mass: 1463.01
• IUPAC Name: (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide
• SMILES: Brc1ccccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4Br)c3)c2)cc(-c2ccccc2)n1.O=C(/C=C/c1cccc(/C=C/C(=O)c2ccccc2Br)c1)c1ccccc1Br.O=C(C[n+]1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C40H26Br2N2.C24H16Br2O2.C13H12NO.BrH/c41-35-20-9-7-18-33(35)39-25-31(23-37(43-39)27-12-3-1-4-13-27)29-16-11-17-30(22-29)32-24-38(28-14-5-2-6-15-28)44-40(26-32)34-19-8-10-21-36(34)42;25-21-10-3-1-8-19(21)23(27)14-12-17-6-5-7-18(16-17)13-15-24(28)20-9-2-4-11-22(20)26;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-26H;1-16H;1-10H,11H2;1H/q;;+1;/p-1/b;14-12+,15-13+
• InChIKey: BMSVPJWYEMBSGK-LMAKNZLZSA-M
• XLogP: 17.87
• TPSA: 80.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1468.82
LogP ≤ 5	17.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?

The IUPAC name of (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide (CID 158844692) is (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide.

What is the SMILES notation for (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?

The canonical SMILES for (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is Brc1ccccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4Br)c3)c2)cc(-c2ccccc2)n1.O=C(/C=C/c1cccc(/C=C/C(=O)c2ccccc2Br)c1)c1ccccc1Br.O=C(C[n+]1ccccc1)c1ccccc1.[Br-].

What is the InChIKey of (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?

The InChIKey is BMSVPJWYEMBSGK-LMAKNZLZSA-M. The full InChI is InChI=1S/C40H26Br2N2.C24H16Br2O2.C13H12NO.BrH/c41-35-20-9-7-18-33(35)39-25-31(23-37(43-39)27-12-3-1-4-13-27)29-16-11-17-30(22-29)32-24-38(28-14-5-2-6-15-28)44-40(26-32)34-19-8-10-21-36(34)42;25-21-10-3-1-8-19(21)23(27)14-12-17-6-5-7-18(16-17)13-15-24(28)20-9-2-4-11-22(20)26;15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-26H;1-16H;1-10H,11H2;1H/q;;+1;/p-1/b;14-12+,15-13+;;.

What are the key properties of (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide?

(E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide has a molecular weight of 1468.82 g/mol, XLogP of 17.87, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(2-bromophenyl)-3-[3-[(E)-3-(2-bromophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one;2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine;1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide is sourced from PubChem (CID 158844692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).