5,11-dibromotetracene

C18H10Br2 — CID 22311633

IUPAC5,11-dibromotetracene
SMILESBrc1c2ccccc2cc2c(Br)c3ccccc3cc12
InChIInChI=1S/C18H10Br2/c19-17-13-7-3-1-5-11(13)9-15-16(17)10-12-6-2-4-8-14(12)18(15)20/h1-10H
InChIKeyCIWRSJBGNYEICY-UHFFFAOYSA-N
MW386.09 g/mol
LogP6.67
Rot. Bonds

About 5,11-dibromotetracene

5,11-dibromotetracene (PubChem CID 22311633) has the molecular formula C18H10Br2 and a molecular weight of 386.09 g/mol. Its IUPAC name is 5,11-dibromotetracene.

Molecular Properties

Compound Name5,11-dibromotetracene
PubChem CID22311633
Molecular FormulaC18H10Br2
Molecular Weight386.09 g/mol
Exact Mass383.91
IUPAC Name5,11-dibromotetracene
SMILESBrc1c2ccccc2cc2c(Br)c3ccccc3cc12
InChIInChI=1S/C18H10Br2/c19-17-13-7-3-1-5-11(13)9-15-16(17)10-12-6-2-4-8-14(12)18(15)20/h1-10H
InChIKeyCIWRSJBGNYEICY-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.09
LogP ≤ 56.67
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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Frequently Asked Questions

What is the IUPAC name of 5,11-dibromotetracene?
The IUPAC name of 5,11-dibromotetracene (CID 22311633) is 5,11-dibromotetracene.
What is the SMILES notation for 5,11-dibromotetracene?
The canonical SMILES for 5,11-dibromotetracene is Brc1c2ccccc2cc2c(Br)c3ccccc3cc12.
What is the InChIKey of 5,11-dibromotetracene?
The InChIKey is CIWRSJBGNYEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2/c19-17-13-7-3-1-5-11(13)9-15-16(17)10-12-6-2-4-8-14(12)18(15)20/h1-10H.
What are the key properties of 5,11-dibromotetracene?
5,11-dibromotetracene has a molecular weight of 386.09 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dibromotetracene is sourced from PubChem (CID 22311633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).