9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene

C34H24 — CID 23574112

IUPAC9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene
SMILESC=Cc1ccc(-c2c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccccc23)cc1
InChIInChI=1S/C34H24/c1-2-24-19-21-26(22-20-24)33-29-15-6-8-17-31(29)34(32-18-9-7-16-30(32)33)28-14-10-13-27(23-28)25-11-4-3-5-12-25/h2-23H,1H2
InChIKeyUKTCWJCTVGWVQJ-UHFFFAOYSA-N
MW432.57 g/mol
LogP9.64
Rot. Bonds4

About 9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene

9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene (PubChem CID 23574112) has the molecular formula C34H24 and a molecular weight of 432.57 g/mol. Its IUPAC name is 9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene
PubChem CID23574112
Molecular FormulaC34H24
Molecular Weight432.57 g/mol
Exact Mass432.19
IUPAC Name9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene
SMILESC=Cc1ccc(-c2c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccccc23)cc1
InChIInChI=1S/C34H24/c1-2-24-19-21-26(22-20-24)33-29-15-6-8-17-31(29)34(32-18-9-7-16-30(32)33)28-14-10-13-27(23-28)25-11-4-3-5-12-25/h2-23H,1H2
InChIKeyUKTCWJCTVGWVQJ-UHFFFAOYSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 59.64
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-ethenylphenyl)-10-(3-phenylphenyl)anthracene?
The IUPAC name of 9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene (CID 23574112) is 9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene.
What is the SMILES notation for 9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene?
The canonical SMILES for 9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene is C=Cc1ccc(-c2c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene?
The InChIKey is UKTCWJCTVGWVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24/c1-2-24-19-21-26(22-20-24)33-29-15-6-8-17-31(29)34(32-18-9-7-16-30(32)33)28-14-10-13-27(23-28)25-11-4-3-5-12-25/h2-23H,1H2.
What are the key properties of 9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene?
9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene has a molecular weight of 432.57 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 23574112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).