9-methyl-10-phenylanthracene

C21H16 — CID 622703

IUPAC9-methyl-10-phenylanthracene
SMILESCc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H16/c1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20/h2-14H,1H3
InChIKeySHHLOTNZRHOQKT-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.97
Rot. Bonds1

About 9-methyl-10-phenylanthracene

9-methyl-10-phenylanthracene (PubChem CID 622703) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is 9-methyl-10-phenylanthracene.

Molecular Properties

Compound Name9-methyl-10-phenylanthracene
PubChem CID622703
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Name9-methyl-10-phenylanthracene
SMILESCc1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H16/c1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20/h2-14H,1H3
InChIKeySHHLOTNZRHOQKT-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.97
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-phenylanthracene?
The IUPAC name of 9-methyl-10-phenylanthracene (CID 622703) is 9-methyl-10-phenylanthracene.
What is the SMILES notation for 9-methyl-10-phenylanthracene?
The canonical SMILES for 9-methyl-10-phenylanthracene is Cc1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 9-methyl-10-phenylanthracene?
The InChIKey is SHHLOTNZRHOQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-15-17-11-5-7-13-19(17)21(16-9-3-2-4-10-16)20-14-8-6-12-18(15)20/h2-14H,1H3.
What are the key properties of 9-methyl-10-phenylanthracene?
9-methyl-10-phenylanthracene has a molecular weight of 268.36 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-phenylanthracene is sourced from PubChem (CID 622703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).