9-(3-methylphenyl)-2,7-diphenylanthracene

C33H24 — CID 142700269

IUPAC9-(3-methylphenyl)-2,7-diphenylanthracene
SMILESCc1cccc(-c2c3cc(-c4ccccc4)ccc3cc3ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C33H24/c1-23-9-8-14-30(19-23)33-31-21-26(24-10-4-2-5-11-24)15-17-28(31)20-29-18-16-27(22-32(29)33)25-12-6-3-7-13-25/h2-22H,1H3
InChIKeyOJYXAMZZFFFXCE-UHFFFAOYSA-N
MW420.56 g/mol
LogP9.30
Rot. Bonds3

About 9-(3-methylphenyl)-2,7-diphenylanthracene

9-(3-methylphenyl)-2,7-diphenylanthracene (PubChem CID 142700269) has the molecular formula C33H24 and a molecular weight of 420.56 g/mol. Its IUPAC name is 9-(3-methylphenyl)-2,7-diphenylanthracene.

Molecular Properties

Compound Name9-(3-methylphenyl)-2,7-diphenylanthracene
PubChem CID142700269
Molecular FormulaC33H24
Molecular Weight420.56 g/mol
Exact Mass420.19
IUPAC Name9-(3-methylphenyl)-2,7-diphenylanthracene
SMILESCc1cccc(-c2c3cc(-c4ccccc4)ccc3cc3ccc(-c4ccccc4)cc23)c1
InChIInChI=1S/C33H24/c1-23-9-8-14-30(19-23)33-31-21-26(24-10-4-2-5-11-24)15-17-28(31)20-29-18-16-27(22-32(29)33)25-12-6-3-7-13-25/h2-22H,1H3
InChIKeyOJYXAMZZFFFXCE-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 59.30
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-(3-methylphenyl)-2,7-diphenylanthracene?
The IUPAC name of 9-(3-methylphenyl)-2,7-diphenylanthracene (CID 142700269) is 9-(3-methylphenyl)-2,7-diphenylanthracene.
What is the SMILES notation for 9-(3-methylphenyl)-2,7-diphenylanthracene?
The canonical SMILES for 9-(3-methylphenyl)-2,7-diphenylanthracene is Cc1cccc(-c2c3cc(-c4ccccc4)ccc3cc3ccc(-c4ccccc4)cc23)c1.
What is the InChIKey of 9-(3-methylphenyl)-2,7-diphenylanthracene?
The InChIKey is OJYXAMZZFFFXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24/c1-23-9-8-14-30(19-23)33-31-21-26(24-10-4-2-5-11-24)15-17-28(31)20-29-18-16-27(22-32(29)33)25-12-6-3-7-13-25/h2-22H,1H3.
What are the key properties of 9-(3-methylphenyl)-2,7-diphenylanthracene?
9-(3-methylphenyl)-2,7-diphenylanthracene has a molecular weight of 420.56 g/mol, XLogP of 9.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-2,7-diphenylanthracene is sourced from PubChem (CID 142700269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).