5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene

Name: 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₄Br₄ — CID 141488311

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene

SMILESBrC1=CCC(Br)(C2=C(c3ccccc3)C=CC(Br)(Br)C2)C=C1

InChIInChI=1S/C18H14Br4/c19-14-6-9-17(20,10-7-14)16-12-18(21,22)11-8-15(16)13-4-2-1-3-5-13/h1-9,11H,10,12H2

InChIKeyAOKRMKFSVXQVIK-UHFFFAOYSA-N

MW549.93 g/mol

LogP7.26

Rot. Bonds2

About 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene

5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene (PubChem CID 141488311) has the molecular formula C₁₈H₁₄Br₄ and a molecular weight of 549.93 g/mol. Its IUPAC name is 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name	5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene
PubChem CID	141488311
Molecular Formula	C₁₈H₁₄Br₄
Molecular Weight	549.93 g/mol
Exact Mass	545.78
IUPAC Name	5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene
SMILES	BrC1=CCC(Br)(C2=C(c3ccccc3)C=CC(Br)(Br)C2)C=C1
InChI	InChI=1S/C18H14Br4/c19-14-6-9-17(20,10-7-14)16-12-18(21,22)11-8-15(16)13-4-2-1-3-5-13/h1-9,11H,10,12H2
InChIKey	AOKRMKFSVXQVIK-UHFFFAOYSA-N
XLogP	7.26
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	2
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.93
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene?

The IUPAC name of 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene (CID 141488311) is 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene.

What is the SMILES notation for 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene?

The canonical SMILES for 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene is BrC1=CCC(Br)(C2=C(c3ccccc3)C=CC(Br)(Br)C2)C=C1.

What is the InChIKey of 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene?

The InChIKey is AOKRMKFSVXQVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br4/c19-14-6-9-17(20,10-7-14)16-12-18(21,22)11-8-15(16)13-4-2-1-3-5-13/h1-9,11H,10,12H2.

What are the key properties of 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene?

5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene has a molecular weight of 549.93 g/mol, XLogP of 7.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dibromo-1-(1,4-dibromocyclohexa-2,4-dien-1-yl)-2-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 141488311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141488311 — identifiers, structure, computed properties (public domain)

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