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

C44H36 — CID 159479529

IUPAC9-methyl-10-(4-methylphenyl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(C)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)cc1
InChIInChI=1S/2C22H18/c2*1-15-11-13-17(14-12-15)22-20-9-5-3-7-18(20)16(2)19-8-4-6-10-21(19)22/h2*3-14H,1-2H3
InChIKeyLWVBCDLUIBYMRS-UHFFFAOYSA-N
MW564.77 g/mol
LogP12.55
Rot. Bonds2

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

9-methyl-10-(4-methylphenyl)anthracene (PubChem CID 159479529) has the molecular formula C44H36 and a molecular weight of 564.77 g/mol. Its IUPAC name is 9-methyl-10-(4-methylphenyl)anthracene.

Molecular Properties

Compound Name9-methyl-10-(4-methylphenyl)anthracene
PubChem CID159479529
Molecular FormulaC44H36
Molecular Weight564.77 g/mol
Exact Mass564.28
IUPAC Name9-methyl-10-(4-methylphenyl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(C)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)cc1
InChIInChI=1S/2C22H18/c2*1-15-11-13-17(14-12-15)22-20-9-5-3-7-18(20)16(2)19-8-4-6-10-21(19)22/h2*3-14H,1-2H3
InChIKeyLWVBCDLUIBYMRS-UHFFFAOYSA-N
XLogP12.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 512.55
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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Related Compounds

9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene
CID 159243819
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
2,9-dimethyl-10-phenylanthracene
CID 58435289
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene
CID 58151376
2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene
CID 58876225
9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene
CID 21043379
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-(4-methylphenyl)anthracene?
The IUPAC name of 9-methyl-10-(4-methylphenyl)anthracene (CID 159479529) is 9-methyl-10-(4-methylphenyl)anthracene.
What is the SMILES notation for 9-methyl-10-(4-methylphenyl)anthracene?
The canonical SMILES for 9-methyl-10-(4-methylphenyl)anthracene is Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(C)c3ccccc23)cc1.
What is the InChIKey of 9-methyl-10-(4-methylphenyl)anthracene?
The InChIKey is LWVBCDLUIBYMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18/c2*1-15-11-13-17(14-12-15)22-20-9-5-3-7-18(20)16(2)19-8-4-6-10-21(19)22/h2*3-14H,1-2H3.
What are the key properties of 9-methyl-10-(4-methylphenyl)anthracene?
9-methyl-10-(4-methylphenyl)anthracene has a molecular weight of 564.77 g/mol, XLogP of 12.55, 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-methylphenyl)anthracene is sourced from PubChem (CID 159479529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).