2-bromo-9,10-diphenylanthracene

C26H17Br — CID 22247163

IUPAC2-bromo-9,10-diphenylanthracene
SMILESBrc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C26H17Br/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17H
InChIKeyOZNXPZBQVNNJCS-UHFFFAOYSA-N
MW409.33 g/mol
LogP8.09
Rot. Bonds2

About 2-bromo-9,10-diphenylanthracene

2-bromo-9,10-diphenylanthracene (PubChem CID 22247163) has the molecular formula C26H17Br and a molecular weight of 409.33 g/mol. Its IUPAC name is 2-bromo-9,10-diphenylanthracene.

Molecular Properties

Compound Name2-bromo-9,10-diphenylanthracene
PubChem CID22247163
Molecular FormulaC26H17Br
Molecular Weight409.33 g/mol
Exact Mass408.05
IUPAC Name2-bromo-9,10-diphenylanthracene
SMILESBrc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C26H17Br/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17H
InChIKeyOZNXPZBQVNNJCS-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 58.09
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

CID 158760527
CID 158760527
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
CID 89363950
CID 89363950
6-bromo-2,3-bis(ethenyl)-1,4-diphenylnaphthalene
CID 123580196
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
3,9-dibromo-7,12-diphenylbenzo[k]fluoranthene
CID 71071926
7-bromo-4-methyl-1,2-diphenylnaphthalene
CID 166066890
2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole
CID 171477204
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,6,9,10-tetraphenylanthracene
CID 58645118

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,10-diphenylanthracene?
The IUPAC name of 2-bromo-9,10-diphenylanthracene (CID 22247163) is 2-bromo-9,10-diphenylanthracene.
What is the SMILES notation for 2-bromo-9,10-diphenylanthracene?
The canonical SMILES for 2-bromo-9,10-diphenylanthracene is Brc1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-bromo-9,10-diphenylanthracene?
The InChIKey is OZNXPZBQVNNJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17H.
What are the key properties of 2-bromo-9,10-diphenylanthracene?
2-bromo-9,10-diphenylanthracene has a molecular weight of 409.33 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,10-diphenylanthracene is sourced from PubChem (CID 22247163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).