6,12-dibromochrysene

C18H10Br2 — CID 3286225

IUPAC6,12-dibromochrysene
SMILESBrc1cc2c3ccccc3c(Br)cc2c2ccccc12
InChIInChI=1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-10H
InChIKeyRULVBMDEPWAFIN-UHFFFAOYSA-N
MW386.09 g/mol
LogP6.67
Rot. Bonds

About 6,12-dibromochrysene

6,12-dibromochrysene (PubChem CID 3286225) has the molecular formula C18H10Br2 and a molecular weight of 386.09 g/mol. Its IUPAC name is 6,12-dibromochrysene.

Molecular Properties

Compound Name6,12-dibromochrysene
PubChem CID3286225
Molecular FormulaC18H10Br2
Molecular Weight386.09 g/mol
Exact Mass383.91
IUPAC Name6,12-dibromochrysene
SMILESBrc1cc2c3ccccc3c(Br)cc2c2ccccc12
InChIInChI=1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-10H
InChIKeyRULVBMDEPWAFIN-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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,12-dibromochrysene?
The IUPAC name of 6,12-dibromochrysene (CID 3286225) is 6,12-dibromochrysene.
What is the SMILES notation for 6,12-dibromochrysene?
The canonical SMILES for 6,12-dibromochrysene is Brc1cc2c3ccccc3c(Br)cc2c2ccccc12.
What is the InChIKey of 6,12-dibromochrysene?
The InChIKey is RULVBMDEPWAFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2/c19-17-10-16-12-6-2-4-8-14(12)18(20)9-15(16)11-5-1-3-7-13(11)17/h1-10H.
What are the key properties of 6,12-dibromochrysene?
6,12-dibromochrysene 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 6,12-dibromochrysene is sourced from PubChem (CID 3286225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).