9,10-dibutyl-9,10-dihydroanthracene

C22H28 — CID 601803

IUPAC9,10-dibutyl-9,10-dihydroanthracene
SMILESCCCCC1c2ccccc2C(CCCC)c2ccccc21
InChIInChI=1S/C22H28/c1-3-5-11-17-19-13-7-9-15-21(19)18(12-6-4-2)22-16-10-8-14-20(17)22/h7-10,13-18H,3-6,11-12H2,1-2H3
InChIKeyLIHYHPHHILCBKU-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.64
Rot. Bonds6

About 9,10-dibutyl-9,10-dihydroanthracene

9,10-dibutyl-9,10-dihydroanthracene (PubChem CID 601803) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 9,10-dibutyl-9,10-dihydroanthracene.

Molecular Properties

Compound Name9,10-dibutyl-9,10-dihydroanthracene
PubChem CID601803
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name9,10-dibutyl-9,10-dihydroanthracene
SMILESCCCCC1c2ccccc2C(CCCC)c2ccccc21
InChIInChI=1S/C22H28/c1-3-5-11-17-19-13-7-9-15-21(19)18(12-6-4-2)22-16-10-8-14-20(17)22/h7-10,13-18H,3-6,11-12H2,1-2H3
InChIKeyLIHYHPHHILCBKU-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
BENZ(a)ANTHRACENE
CID 5954
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
M-Terphenyl
CID 7076
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387

Frequently Asked Questions

What is the IUPAC name of 9,10-dibutyl-9,10-dihydroanthracene?
The IUPAC name of 9,10-dibutyl-9,10-dihydroanthracene (CID 601803) is 9,10-dibutyl-9,10-dihydroanthracene.
What is the SMILES notation for 9,10-dibutyl-9,10-dihydroanthracene?
The canonical SMILES for 9,10-dibutyl-9,10-dihydroanthracene is CCCCC1c2ccccc2C(CCCC)c2ccccc21.
What is the InChIKey of 9,10-dibutyl-9,10-dihydroanthracene?
The InChIKey is LIHYHPHHILCBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-3-5-11-17-19-13-7-9-15-21(19)18(12-6-4-2)22-16-10-8-14-20(17)22/h7-10,13-18H,3-6,11-12H2,1-2H3.
What are the key properties of 9,10-dibutyl-9,10-dihydroanthracene?
9,10-dibutyl-9,10-dihydroanthracene has a molecular weight of 292.47 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibutyl-9,10-dihydroanthracene is sourced from PubChem (CID 601803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).