1,4-dibromo-5,12-dihydrotetracene

C36H24Br4 — CID 158501060

IUPAC1,4-dibromo-5,12-dihydrotetracene
SMILESBrc1ccc(Br)c2c1Cc1cc3ccccc3cc1C2.Brc1ccc(Br)c2c1Cc1cc3ccccc3cc1C2
InChIInChI=1S/2C18H12Br2/c2*19-17-5-6-18(20)16-10-14-8-12-4-2-1-3-11(12)7-13(14)9-15(16)17/h2*1-8H,9-10H2
InChIKeyHJXAHRMDFVPKIY-UHFFFAOYSA-N
MW776.20 g/mol
LogP11.72
Rot. Bonds

About 1,4-dibromo-5,12-dihydrotetracene

1,4-dibromo-5,12-dihydrotetracene (PubChem CID 158501060) has the molecular formula C36H24Br4 and a molecular weight of 776.20 g/mol. Its IUPAC name is 1,4-dibromo-5,12-dihydrotetracene.

Molecular Properties

Compound Name1,4-dibromo-5,12-dihydrotetracene
PubChem CID158501060
Molecular FormulaC36H24Br4
Molecular Weight776.20 g/mol
Exact Mass771.86
IUPAC Name1,4-dibromo-5,12-dihydrotetracene
SMILESBrc1ccc(Br)c2c1Cc1cc3ccccc3cc1C2.Brc1ccc(Br)c2c1Cc1cc3ccccc3cc1C2
InChIInChI=1S/2C18H12Br2/c2*19-17-5-6-18(20)16-10-14-8-12-4-2-1-3-11(12)7-13(14)9-15(16)17/h2*1-8H,9-10H2
InChIKeyHJXAHRMDFVPKIY-UHFFFAOYSA-N
XLogP11.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.20
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-5,12-dihydrotetracene?
The IUPAC name of 1,4-dibromo-5,12-dihydrotetracene (CID 158501060) is 1,4-dibromo-5,12-dihydrotetracene.
What is the SMILES notation for 1,4-dibromo-5,12-dihydrotetracene?
The canonical SMILES for 1,4-dibromo-5,12-dihydrotetracene is Brc1ccc(Br)c2c1Cc1cc3ccccc3cc1C2.Brc1ccc(Br)c2c1Cc1cc3ccccc3cc1C2.
What is the InChIKey of 1,4-dibromo-5,12-dihydrotetracene?
The InChIKey is HJXAHRMDFVPKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12Br2/c2*19-17-5-6-18(20)16-10-14-8-12-4-2-1-3-11(12)7-13(14)9-15(16)17/h2*1-8H,9-10H2.
What are the key properties of 1,4-dibromo-5,12-dihydrotetracene?
1,4-dibromo-5,12-dihydrotetracene has a molecular weight of 776.20 g/mol, XLogP of 11.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-5,12-dihydrotetracene is sourced from PubChem (CID 158501060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).