(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone

C34H24O — CID 87107427

IUPAC(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1
InChIInChI=1S/C34H24O/c1-23-10-9-13-27(22-23)34(35)26-20-18-25(19-21-26)33-30-16-7-5-14-28(30)32(24-11-3-2-4-12-24)29-15-6-8-17-31(29)33/h2-22H,1H3
InChIKeyRYSGVJPQGNUXKI-UHFFFAOYSA-N
MW448.57 g/mol
LogP8.87
Rot. Bonds4

About (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone

(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone (PubChem CID 87107427) has the molecular formula C34H24O and a molecular weight of 448.57 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
PubChem CID87107427
Molecular FormulaC34H24O
Molecular Weight448.57 g/mol
Exact Mass448.18
IUPAC Name(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1
InChIInChI=1S/C34H24O/c1-23-10-9-13-27(22-23)34(35)26-20-18-25(19-21-26)33-30-16-7-5-14-28(30)32(24-11-3-2-4-12-24)29-15-6-8-17-31(29)33/h2-22H,1H3
InChIKeyRYSGVJPQGNUXKI-UHFFFAOYSA-N
XLogP8.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone?
The IUPAC name of (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone (CID 87107427) is (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone is Cc1cccc(C(=O)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone?
The InChIKey is RYSGVJPQGNUXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O/c1-23-10-9-13-27(22-23)34(35)26-20-18-25(19-21-26)33-30-16-7-5-14-28(30)32(24-11-3-2-4-12-24)29-15-6-8-17-31(29)33/h2-22H,1H3.
What are the key properties of (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone?
(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone has a molecular weight of 448.57 g/mol, XLogP of 8.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone is sourced from PubChem (CID 87107427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).