2,8-dibromochrysene

C18H10Br2 — CID 3016536

IUPAC2,8-dibromochrysene
SMILESBrc1ccc2c(ccc3c4ccc(Br)cc4ccc23)c1
InChIInChI=1S/C18H10Br2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h1-10H
InChIKeyWTZGPARNWJTIBL-UHFFFAOYSA-N
MW386.09 g/mol
LogP6.67
Rot. Bonds

About 2,8-dibromochrysene

2,8-dibromochrysene (PubChem CID 3016536) has the molecular formula C18H10Br2 and a molecular weight of 386.09 g/mol. Its IUPAC name is 2,8-dibromochrysene.

Molecular Properties

Compound Name2,8-dibromochrysene
PubChem CID3016536
Molecular FormulaC18H10Br2
Molecular Weight386.09 g/mol
Exact Mass383.91
IUPAC Name2,8-dibromochrysene
SMILESBrc1ccc2c(ccc3c4ccc(Br)cc4ccc23)c1
InChIInChI=1S/C18H10Br2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h1-10H
InChIKeyWTZGPARNWJTIBL-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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Related Compounds

9-Bromophenanthrene
CID 11309
2-Bromonaphthalene
CID 11372
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
9-Bromomethylanthracene
CID 17019
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-(Bromomethyl)benz(a)anthracene
CID 90666
7-(Bromomethyl)-12-methylbenz(a)anthracene
CID 27767
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-methylnaphthalene
CID 75754

Frequently Asked Questions

What is the IUPAC name of 2,8-dibromochrysene?
The IUPAC name of 2,8-dibromochrysene (CID 3016536) is 2,8-dibromochrysene.
What is the SMILES notation for 2,8-dibromochrysene?
The canonical SMILES for 2,8-dibromochrysene is Brc1ccc2c(ccc3c4ccc(Br)cc4ccc23)c1.
What is the InChIKey of 2,8-dibromochrysene?
The InChIKey is WTZGPARNWJTIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h1-10H.
What are the key properties of 2,8-dibromochrysene?
2,8-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 2,8-dibromochrysene is sourced from PubChem (CID 3016536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).