6-bromochrysene

C18H11Br — CID 3014563

IUPAC6-bromochrysene
SMILESBrc1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C18H11Br/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
InChIKeyFAAAKDIORRDGMS-UHFFFAOYSA-N
MW307.19 g/mol
LogP5.91
Rot. Bonds

About 6-bromochrysene

6-bromochrysene (PubChem CID 3014563) has the molecular formula C18H11Br and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromochrysene.

Molecular Properties

Compound Name6-bromochrysene
PubChem CID3014563
Molecular FormulaC18H11Br
Molecular Weight307.19 g/mol
Exact Mass306.00
IUPAC Name6-bromochrysene
SMILESBrc1cc2c3ccccc3ccc2c2ccccc12
InChIInChI=1S/C18H11Br/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H
InChIKeyFAAAKDIORRDGMS-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.19
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-bromochrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dibromotriphenylene
CID 164807175
chrysene;iron
CID 157379031
3-bromo-2-chlorophenanthrene
CID 166845355
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
ethene;picene
CID 175286520
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
1,2-dibromopicene
CID 90833242
10,21-dibromopentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 89308355
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298

Frequently Asked Questions

What is the IUPAC name of 6-bromochrysene?
The IUPAC name of 6-bromochrysene (CID 3014563) is 6-bromochrysene.
What is the SMILES notation for 6-bromochrysene?
The canonical SMILES for 6-bromochrysene is Brc1cc2c3ccccc3ccc2c2ccccc12.
What is the InChIKey of 6-bromochrysene?
The InChIKey is FAAAKDIORRDGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H.
What are the key properties of 6-bromochrysene?
6-bromochrysene has a molecular weight of 307.19 g/mol, XLogP of 5.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromochrysene is sourced from PubChem (CID 3014563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).