9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene

C30H22Se2 — CID 12570915

IUPAC9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
SMILESc1ccc2c(C[Se][Se]Cc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C30H22Se2/c1-5-13-25-21(9-1)17-22-10-2-6-14-26(22)29(25)19-31-32-20-30-27-15-7-3-11-23(27)18-24-12-4-8-16-28(24)30/h1-18H,19-20H2
InChIKeyJCHUBXXWAOHRQI-UHFFFAOYSA-N
MW540.43 g/mol
LogP7.32
Rot. Bonds5

About 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene

9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene (PubChem CID 12570915) has the molecular formula C30H22Se2 and a molecular weight of 540.43 g/mol. Its IUPAC name is 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene.

Molecular Properties

Compound Name9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
PubChem CID12570915
Molecular FormulaC30H22Se2
Molecular Weight540.43 g/mol
Exact Mass542.01
IUPAC Name9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene
SMILESc1ccc2c(C[Se][Se]Cc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C30H22Se2/c1-5-13-25-21(9-1)17-22-10-2-6-14-26(22)29(25)19-31-32-20-30-27-15-7-3-11-23(27)18-24-12-4-8-16-28(24)30/h1-18H,19-20H2
InChIKeyJCHUBXXWAOHRQI-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.43
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

anthracen-9-ylmethyloxidanium
CID 143222944
9-(anthracen-9-ylmethyl)anthracene;ethane
CID 91026872
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
1,3-di(anthracen-9-yl)propan-2-ol
CID 14980286
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
3-anthracen-9-ylpropylphosphane
CID 155025823
(2-bromoanthracen-9-yl)methanol
CID 87382861
4-anthracen-9-ylbutylphosphane
CID 155025786
anthracene;naphthalene;phenanthrene
CID 158591187
naphtho[1,2-b]phenanthrene
CID 5889
3-anthracen-9-ylpropanenitrile
CID 14069397
1-anthracen-9-ylpropan-2-ol
CID 19889136

Frequently Asked Questions

What is the IUPAC name of 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene?
The IUPAC name of 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene (CID 12570915) is 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene.
What is the SMILES notation for 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene?
The canonical SMILES for 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene is c1ccc2c(C[Se][Se]Cc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1.
What is the InChIKey of 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene?
The InChIKey is JCHUBXXWAOHRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Se2/c1-5-13-25-21(9-1)17-22-10-2-6-14-26(22)29(25)19-31-32-20-30-27-15-7-3-11-23(27)18-24-12-4-8-16-28(24)30/h1-18H,19-20H2.
What are the key properties of 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene?
9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene has a molecular weight of 540.43 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(anthracen-9-ylmethyldiselanyl)methyl]anthracene is sourced from PubChem (CID 12570915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).