1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene

C18H10Br4 — CID 87347714

IUPAC1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene
SMILESBrc1cc(Br)c(-c2ccccc2-c2ccccc2)c(Br)c1Br
InChIInChI=1S/C18H10Br4/c19-14-10-15(20)17(21)18(22)16(14)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H
InChIKeyHWOLBUPBSYJGCZ-UHFFFAOYSA-N
MW545.89 g/mol
LogP8.07
Rot. Bonds2

About 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene

1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene (PubChem CID 87347714) has the molecular formula C18H10Br4 and a molecular weight of 545.89 g/mol. Its IUPAC name is 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene
PubChem CID87347714
Molecular FormulaC18H10Br4
Molecular Weight545.89 g/mol
Exact Mass541.75
IUPAC Name1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene
SMILESBrc1cc(Br)c(-c2ccccc2-c2ccccc2)c(Br)c1Br
InChIInChI=1S/C18H10Br4/c19-14-10-15(20)17(21)18(22)16(14)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H
InChIKeyHWOLBUPBSYJGCZ-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.89
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene?
The IUPAC name of 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene (CID 87347714) is 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene.
What is the SMILES notation for 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene?
The canonical SMILES for 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene is Brc1cc(Br)c(-c2ccccc2-c2ccccc2)c(Br)c1Br.
What is the InChIKey of 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene?
The InChIKey is HWOLBUPBSYJGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br4/c19-14-10-15(20)17(21)18(22)16(14)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene?
1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene has a molecular weight of 545.89 g/mol, XLogP of 8.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene is sourced from PubChem (CID 87347714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).