4-(10-bromoanthracen-9-yl)benzo[a]anthracene

C32H19Br — CID 86676449

IUPAC4-(10-bromoanthracen-9-yl)benzo[a]anthracene
SMILESBrc1c2ccccc2c(-c2cccc3c2ccc2cc4ccccc4cc23)c2ccccc12
InChIInChI=1S/C32H19Br/c33-32-28-12-5-3-10-26(28)31(27-11-4-6-13-29(27)32)25-15-7-14-23-24(25)17-16-22-18-20-8-1-2-9-21(20)19-30(22)23/h1-19H
InChIKeyBFDFTUBEVVONBF-UHFFFAOYSA-N
MW483.41 g/mol
LogP9.88
Rot. Bonds1

About 4-(10-bromoanthracen-9-yl)benzo[a]anthracene

4-(10-bromoanthracen-9-yl)benzo[a]anthracene (PubChem CID 86676449) has the molecular formula C32H19Br and a molecular weight of 483.41 g/mol. Its IUPAC name is 4-(10-bromoanthracen-9-yl)benzo[a]anthracene.

Molecular Properties

Compound Name4-(10-bromoanthracen-9-yl)benzo[a]anthracene
PubChem CID86676449
Molecular FormulaC32H19Br
Molecular Weight483.41 g/mol
Exact Mass482.07
IUPAC Name4-(10-bromoanthracen-9-yl)benzo[a]anthracene
SMILESBrc1c2ccccc2c(-c2cccc3c2ccc2cc4ccccc4cc23)c2ccccc12
InChIInChI=1S/C32H19Br/c33-32-28-12-5-3-10-26(28)31(27-11-4-6-13-29(27)32)25-15-7-14-23-24(25)17-16-22-18-20-8-1-2-9-21(20)19-30(22)23/h1-19H
InChIKeyBFDFTUBEVVONBF-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 123375049
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
9-(4-anthracen-9-ylnaphthalen-1-yl)-10-bromoanthracene
CID 58321158
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
9,10-di(anthracen-1-yl)anthracene
CID 58645093
4-(1,2,3,4,5,6,7-heptadeuterio-10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene
CID 172547641
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
4-phenanthren-9-ylbenzo[a]anthracene
CID 59412790
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772
7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412700
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736

Frequently Asked Questions

What is the IUPAC name of 4-(10-bromoanthracen-9-yl)benzo[a]anthracene?
The IUPAC name of 4-(10-bromoanthracen-9-yl)benzo[a]anthracene (CID 86676449) is 4-(10-bromoanthracen-9-yl)benzo[a]anthracene.
What is the SMILES notation for 4-(10-bromoanthracen-9-yl)benzo[a]anthracene?
The canonical SMILES for 4-(10-bromoanthracen-9-yl)benzo[a]anthracene is Brc1c2ccccc2c(-c2cccc3c2ccc2cc4ccccc4cc23)c2ccccc12.
What is the InChIKey of 4-(10-bromoanthracen-9-yl)benzo[a]anthracene?
The InChIKey is BFDFTUBEVVONBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19Br/c33-32-28-12-5-3-10-26(28)31(27-11-4-6-13-29(27)32)25-15-7-14-23-24(25)17-16-22-18-20-8-1-2-9-21(20)19-30(22)23/h1-19H.
What are the key properties of 4-(10-bromoanthracen-9-yl)benzo[a]anthracene?
4-(10-bromoanthracen-9-yl)benzo[a]anthracene has a molecular weight of 483.41 g/mol, XLogP of 9.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-bromoanthracen-9-yl)benzo[a]anthracene is sourced from PubChem (CID 86676449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).