1-(4-bromophenyl)anthracene

C20H13Br — CID 141156344

IUPAC1-(4-bromophenyl)anthracene
SMILESBrc1ccc(-c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C20H13Br/c21-18-10-8-14(9-11-18)19-7-3-6-17-12-15-4-1-2-5-16(15)13-20(17)19/h1-13H
InChIKeyDSRTVZCXAKSTDA-UHFFFAOYSA-N
MW333.23 g/mol
LogP6.42
Rot. Bonds1

About 1-(4-bromophenyl)anthracene

1-(4-bromophenyl)anthracene (PubChem CID 141156344) has the molecular formula C20H13Br and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)anthracene.

Molecular Properties

Compound Name1-(4-bromophenyl)anthracene
PubChem CID141156344
Molecular FormulaC20H13Br
Molecular Weight333.23 g/mol
Exact Mass332.02
IUPAC Name1-(4-bromophenyl)anthracene
SMILESBrc1ccc(-c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C20H13Br/c21-18-10-8-14(9-11-18)19-7-3-6-17-12-15-4-1-2-5-16(15)13-20(17)19/h1-13H
InChIKeyDSRTVZCXAKSTDA-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.23
LogP ≤ 56.42
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

hydron;1-phenylanthracene
CID 174351162
4-anthracen-1-ylaniline
CID 18974595
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
1-(2-phenylphenyl)anthracene
CID 21435778
4-anthracen-1-ylbenzonitrile
CID 151714314
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
1-(3,4,5-trifluorophenyl)anthracene
CID 87425952
4,5-bis(4-bromophenyl)acridine
CID 619239
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
2,6-di(anthracen-1-yl)anthracene-9,10-dione
CID 174779139
2-naphthalen-1-ylanthracene
CID 2748705
1-(2,3-diphenylphenyl)anthracene
CID 151584978

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)anthracene?
The IUPAC name of 1-(4-bromophenyl)anthracene (CID 141156344) is 1-(4-bromophenyl)anthracene.
What is the SMILES notation for 1-(4-bromophenyl)anthracene?
The canonical SMILES for 1-(4-bromophenyl)anthracene is Brc1ccc(-c2cccc3cc4ccccc4cc23)cc1.
What is the InChIKey of 1-(4-bromophenyl)anthracene?
The InChIKey is DSRTVZCXAKSTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Br/c21-18-10-8-14(9-11-18)19-7-3-6-17-12-15-4-1-2-5-16(15)13-20(17)19/h1-13H.
What are the key properties of 1-(4-bromophenyl)anthracene?
1-(4-bromophenyl)anthracene has a molecular weight of 333.23 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)anthracene is sourced from PubChem (CID 141156344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).