2,6-ditert-butylanthracene

C22H26 — CID 15740416

IUPAC2,6-ditert-butylanthracene
SMILESCC(C)(C)c1ccc2cc3cc(C(C)(C)C)ccc3cc2c1
InChIInChI=1S/C22H26/c1-21(2,3)19-9-7-15-12-18-14-20(22(4,5)6)10-8-16(18)11-17(15)13-19/h7-14H,1-6H3
InChIKeyZNMPPGWFJMSOPK-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.59
Rot. Bonds

About 2,6-ditert-butylanthracene

2,6-ditert-butylanthracene (PubChem CID 15740416) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,6-ditert-butylanthracene.

Molecular Properties

Compound Name2,6-ditert-butylanthracene
PubChem CID15740416
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name2,6-ditert-butylanthracene
SMILESCC(C)(C)c1ccc2cc3cc(C(C)(C)C)ccc3cc2c1
InChIInChI=1S/C22H26/c1-21(2,3)19-9-7-15-12-18-14-20(22(4,5)6)10-8-16(18)11-17(15)13-19/h7-14H,1-6H3
InChIKeyZNMPPGWFJMSOPK-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.59
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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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butylanthracene?
The IUPAC name of 2,6-ditert-butylanthracene (CID 15740416) is 2,6-ditert-butylanthracene.
What is the SMILES notation for 2,6-ditert-butylanthracene?
The canonical SMILES for 2,6-ditert-butylanthracene is CC(C)(C)c1ccc2cc3cc(C(C)(C)C)ccc3cc2c1.
What is the InChIKey of 2,6-ditert-butylanthracene?
The InChIKey is ZNMPPGWFJMSOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-21(2,3)19-9-7-15-12-18-14-20(22(4,5)6)10-8-16(18)11-17(15)13-19/h7-14H,1-6H3.
What are the key properties of 2,6-ditert-butylanthracene?
2,6-ditert-butylanthracene has a molecular weight of 290.45 g/mol, XLogP of 6.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butylanthracene is sourced from PubChem (CID 15740416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).