2,6-dibromo-1-(2-phenylphenyl)anthracene

C26H16Br2 — CID 175140401

IUPAC2,6-dibromo-1-(2-phenylphenyl)anthracene
SMILESBrc1ccc2cc3c(-c4ccccc4-c4ccccc4)c(Br)ccc3cc2c1
InChIInChI=1S/C26H16Br2/c27-21-12-10-18-16-24-19(14-20(18)15-21)11-13-25(28)26(24)23-9-5-4-8-22(23)17-6-2-1-3-7-17/h1-16H
InChIKeyYFAOHKNUIXKDAH-UHFFFAOYSA-N
MW488.22 g/mol
LogP8.85
Rot. Bonds2

About 2,6-dibromo-1-(2-phenylphenyl)anthracene

2,6-dibromo-1-(2-phenylphenyl)anthracene (PubChem CID 175140401) has the molecular formula C26H16Br2 and a molecular weight of 488.22 g/mol. Its IUPAC name is 2,6-dibromo-1-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name2,6-dibromo-1-(2-phenylphenyl)anthracene
PubChem CID175140401
Molecular FormulaC26H16Br2
Molecular Weight488.22 g/mol
Exact Mass485.96
IUPAC Name2,6-dibromo-1-(2-phenylphenyl)anthracene
SMILESBrc1ccc2cc3c(-c4ccccc4-c4ccccc4)c(Br)ccc3cc2c1
InChIInChI=1S/C26H16Br2/c27-21-12-10-18-16-24-19(14-20(18)15-21)11-13-25(28)26(24)23-9-5-4-8-22(23)17-6-2-1-3-7-17/h1-16H
InChIKeyYFAOHKNUIXKDAH-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.22
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,2-diphenylpentacene
CID 22247158
1-(2-phenylphenyl)anthracene
CID 21435778
1-(4-bromophenyl)anthracene
CID 141156344
2-bromo-1-(7-bromonaphthalen-1-yl)naphthalene
CID 139178070
3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene
CID 71079311
2,3-diphenyl-1-(2,4,6-tribromophenyl)anthracene
CID 150895090
hydron;1-phenylanthracene
CID 174351162
2-phenylanthracen-1-ol
CID 54315343
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
1,4,8,11-tetraphenylpentacene
CID 102295223
1-(2,3-diphenylphenyl)anthracene
CID 151584978

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-1-(2-phenylphenyl)anthracene?
The IUPAC name of 2,6-dibromo-1-(2-phenylphenyl)anthracene (CID 175140401) is 2,6-dibromo-1-(2-phenylphenyl)anthracene.
What is the SMILES notation for 2,6-dibromo-1-(2-phenylphenyl)anthracene?
The canonical SMILES for 2,6-dibromo-1-(2-phenylphenyl)anthracene is Brc1ccc2cc3c(-c4ccccc4-c4ccccc4)c(Br)ccc3cc2c1.
What is the InChIKey of 2,6-dibromo-1-(2-phenylphenyl)anthracene?
The InChIKey is YFAOHKNUIXKDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Br2/c27-21-12-10-18-16-24-19(14-20(18)15-21)11-13-25(28)26(24)23-9-5-4-8-22(23)17-6-2-1-3-7-17/h1-16H.
What are the key properties of 2,6-dibromo-1-(2-phenylphenyl)anthracene?
2,6-dibromo-1-(2-phenylphenyl)anthracene has a molecular weight of 488.22 g/mol, XLogP of 8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-1-(2-phenylphenyl)anthracene is sourced from PubChem (CID 175140401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).