2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene

C26H16Br2 — CID 142699048

IUPAC2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccc(Br)cc3c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccc(Br)cc23)c([2H])c1[2H]
InChIInChI=1S/C26H16Br2/c27-19-12-14-22-23(15-19)25(17-7-3-1-4-8-17)21-13-11-20(28)16-24(21)26(22)18-9-5-2-6-10-18/h1-16H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKeyVPRYGSKSLDELAY-LHNTUAQVSA-N
MW498.28 g/mol
LogP8.85
Rot. Bonds2

About 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene

2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene (PubChem CID 142699048) has the molecular formula C26H16Br2 and a molecular weight of 498.28 g/mol. Its IUPAC name is 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene.

Molecular Properties

Compound Name2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene
PubChem CID142699048
Molecular FormulaC26H16Br2
Molecular Weight498.28 g/mol
Exact Mass496.02
IUPAC Name2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c(-c2c3ccc(Br)cc3c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccc(Br)cc23)c([2H])c1[2H]
InChIInChI=1S/C26H16Br2/c27-19-12-14-22-23(15-19)25(17-7-3-1-4-8-17)21-13-11-20(28)16-24(21)26(22)18-9-5-2-6-10-18/h1-16H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKeyVPRYGSKSLDELAY-LHNTUAQVSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.28
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,10-bis(2,3,4,5,6-pentadeuteriophenyl)-2,6-diphenylanthracene
CID 140747032
9,10-bis(2,3,4,5,6-pentadeuteriophenyl)-2,7-diphenylanthracene
CID 140747027
10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene
CID 142716263
2-bromo-9,10-diphenylanthracene
CID 22247163
1-(3-bromophenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 88865397
10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 142716268
4-chloro-2,3,6-trimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene
CID 100958495
4,6-dichloro-2,3-dimethyl-1-(2,3,4,5,6-pentadeuteriophenyl)naphthalene
CID 100958496
2-[2,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 170653989
CID 158760527
CID 158760527
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[4-(10-phenylphenanthren-9-yl)phenyl]anthracene
CID 176646825

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene?
The IUPAC name of 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene (CID 142699048) is 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene.
What is the SMILES notation for 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene?
The canonical SMILES for 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene is [2H]c1c([2H])c([2H])c(-c2c3ccc(Br)cc3c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccc(Br)cc23)c([2H])c1[2H].
What is the InChIKey of 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene?
The InChIKey is VPRYGSKSLDELAY-LHNTUAQVSA-N. The full InChI is InChI=1S/C26H16Br2/c27-19-12-14-22-23(15-19)25(17-7-3-1-4-8-17)21-13-11-20(28)16-24(21)26(22)18-9-5-2-6-10-18/h1-16H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D.
What are the key properties of 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene?
2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene has a molecular weight of 498.28 g/mol, XLogP of 8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-9,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracene is sourced from PubChem (CID 142699048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).