9-methyl-10-(4-phenylphenyl)anthracene

C27H20 — CID 58820618

IUPAC9-methyl-10-(4-phenylphenyl)anthracene
SMILESCc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C27H20/c1-19-23-11-5-7-13-25(23)27(26-14-8-6-12-24(19)26)22-17-15-21(16-18-22)20-9-3-2-4-10-20/h2-18H,1H3
InChIKeyDLQFCPGFNAXMIX-UHFFFAOYSA-N
MW344.46 g/mol
LogP7.64
Rot. Bonds2

About 9-methyl-10-(4-phenylphenyl)anthracene

9-methyl-10-(4-phenylphenyl)anthracene (PubChem CID 58820618) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is 9-methyl-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-methyl-10-(4-phenylphenyl)anthracene
PubChem CID58820618
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Name9-methyl-10-(4-phenylphenyl)anthracene
SMILESCc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C27H20/c1-19-23-11-5-7-13-25(23)27(26-14-8-6-12-24(19)26)22-17-15-21(16-18-22)20-9-3-2-4-10-20/h2-18H,1H3
InChIKeyDLQFCPGFNAXMIX-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 57.64
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-methyl-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-methyl-10-(4-phenylphenyl)anthracene (CID 58820618) is 9-methyl-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-methyl-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-methyl-10-(4-phenylphenyl)anthracene is Cc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 9-methyl-10-(4-phenylphenyl)anthracene?
The InChIKey is DLQFCPGFNAXMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-19-23-11-5-7-13-25(23)27(26-14-8-6-12-24(19)26)22-17-15-21(16-18-22)20-9-3-2-4-10-20/h2-18H,1H3.
What are the key properties of 9-methyl-10-(4-phenylphenyl)anthracene?
9-methyl-10-(4-phenylphenyl)anthracene has a molecular weight of 344.46 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 58820618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).