9,10-dibromo-2,6-didecylanthracene

C34H48Br2 — CID 141357715

IUPAC9,10-dibromo-2,6-didecylanthracene
SMILESCCCCCCCCCCc1ccc2c(Br)c3cc(CCCCCCCCCC)ccc3c(Br)c2c1
InChIInChI=1S/C34H48Br2/c1-3-5-7-9-11-13-15-17-19-27-21-23-29-31(25-27)33(35)30-24-22-28(26-32(30)34(29)36)20-18-16-14-12-10-8-6-4-2/h21-26H,3-20H2,1-2H3
InChIKeyLUVGZLABNRREIT-UHFFFAOYSA-N
MW616.57 g/mol
LogP12.88
Rot. Bonds18

About 9,10-dibromo-2,6-didecylanthracene

9,10-dibromo-2,6-didecylanthracene (PubChem CID 141357715) has the molecular formula C34H48Br2 and a molecular weight of 616.57 g/mol. Its IUPAC name is 9,10-dibromo-2,6-didecylanthracene.

Molecular Properties

Compound Name9,10-dibromo-2,6-didecylanthracene
PubChem CID141357715
Molecular FormulaC34H48Br2
Molecular Weight616.57 g/mol
Exact Mass614.21
IUPAC Name9,10-dibromo-2,6-didecylanthracene
SMILESCCCCCCCCCCc1ccc2c(Br)c3cc(CCCCCCCCCC)ccc3c(Br)c2c1
InChIInChI=1S/C34H48Br2/c1-3-5-7-9-11-13-15-17-19-27-21-23-29-31(25-27)33(35)30-24-22-28(26-32(30)34(29)36)20-18-16-14-12-10-8-6-4-2/h21-26H,3-20H2,1-2H3
InChIKeyLUVGZLABNRREIT-UHFFFAOYSA-N
XLogP12.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.57
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
6,13-dibromo-2-tetracosylpentacene
CID 162372248
1,2-dibromo-4-hexylbenzene
CID 54422362
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
18,33-di(nonyl)dodecacyclo[24.16.0.02,7.03,40.06,11.08,25.09,22.010,15.016,21.029,42.030,35.036,41]dotetraconta-1(26),2,4,6,8(25),9(22),10,12,14,16(21),17,19,23,27,29(42),30(35),31,33,36,38,40-henicosaene
CID 177490465
9-bromo-10-hexylanthracene
CID 141284839
4-octylbenzene-1,2-dithiol
CID 139661282
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447
4,11,15,22-tetrakis-decylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene
CID 102435589
4,11,15,22-tetraheptylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8(24),9,11,13(18),14,16,19(23),20-dodecaene
CID 132822294

Frequently Asked Questions

What is the IUPAC name of 9,10-dibromo-2,6-didecylanthracene?
The IUPAC name of 9,10-dibromo-2,6-didecylanthracene (CID 141357715) is 9,10-dibromo-2,6-didecylanthracene.
What is the SMILES notation for 9,10-dibromo-2,6-didecylanthracene?
The canonical SMILES for 9,10-dibromo-2,6-didecylanthracene is CCCCCCCCCCc1ccc2c(Br)c3cc(CCCCCCCCCC)ccc3c(Br)c2c1.
What is the InChIKey of 9,10-dibromo-2,6-didecylanthracene?
The InChIKey is LUVGZLABNRREIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48Br2/c1-3-5-7-9-11-13-15-17-19-27-21-23-29-31(25-27)33(35)30-24-22-28(26-32(30)34(29)36)20-18-16-14-12-10-8-6-4-2/h21-26H,3-20H2,1-2H3.
What are the key properties of 9,10-dibromo-2,6-didecylanthracene?
9,10-dibromo-2,6-didecylanthracene has a molecular weight of 616.57 g/mol, XLogP of 12.88, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromo-2,6-didecylanthracene is sourced from PubChem (CID 141357715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).