9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene

C36H30 — CID 58602181

IUPAC9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
SMILESCCC(C)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C36H30/c1-3-25(2)26-17-21-29(22-18-26)35-31-13-7-9-15-33(31)36(34-16-10-8-14-32(34)35)30-23-19-28(20-24-30)27-11-5-4-6-12-27/h4-25H,3H2,1-2H3
InChIKeyDXWOAMLIOITILS-UHFFFAOYSA-N
MW462.64 g/mol
LogP10.51
Rot. Bonds5

About 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene

9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene (PubChem CID 58602181) has the molecular formula C36H30 and a molecular weight of 462.64 g/mol. Its IUPAC name is 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
PubChem CID58602181
Molecular FormulaC36H30
Molecular Weight462.64 g/mol
Exact Mass462.23
IUPAC Name9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene
SMILESCCC(C)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C36H30/c1-3-25(2)26-17-21-29(22-18-26)35-31-13-7-9-15-33(31)36(34-16-10-8-14-32(34)35)30-23-19-28(20-24-30)27-11-5-4-6-12-27/h4-25H,3H2,1-2H3
InChIKeyDXWOAMLIOITILS-UHFFFAOYSA-N
XLogP10.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 510.51
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 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene (CID 58602181) is 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene is CCC(C)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene?
The InChIKey is DXWOAMLIOITILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30/c1-3-25(2)26-17-21-29(22-18-26)35-31-13-7-9-15-33(31)36(34-16-10-8-14-32(34)35)30-23-19-28(20-24-30)27-11-5-4-6-12-27/h4-25H,3H2,1-2H3.
What are the key properties of 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene?
9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene has a molecular weight of 462.64 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-butan-2-ylphenyl)-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 58602181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).