1-(2,3-dimethyl-1H-inden-1-yl)anthracene

C25H20 — CID 172691633

IUPAC1-(2,3-dimethyl-1H-inden-1-yl)anthracene
SMILESCC1=C(C)C(c2cccc3cc4ccccc4cc23)c2ccccc21
InChIInChI=1S/C25H20/c1-16-17(2)25(22-12-6-5-11-21(16)22)23-13-7-10-20-14-18-8-3-4-9-19(18)15-24(20)23/h3-15,25H,1-2H3
InChIKeyBTIHLSGEMWYYRK-UHFFFAOYSA-N
MW320.44 g/mol
LogP6.93
Rot. Bonds1

About 1-(2,3-dimethyl-1H-inden-1-yl)anthracene

1-(2,3-dimethyl-1H-inden-1-yl)anthracene (PubChem CID 172691633) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2,3-dimethyl-1H-inden-1-yl)anthracene.

Molecular Properties

Compound Name1-(2,3-dimethyl-1H-inden-1-yl)anthracene
PubChem CID172691633
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name1-(2,3-dimethyl-1H-inden-1-yl)anthracene
SMILESCC1=C(C)C(c2cccc3cc4ccccc4cc23)c2ccccc21
InChIInChI=1S/C25H20/c1-16-17(2)25(22-12-6-5-11-21(16)22)23-13-7-10-20-14-18-8-3-4-9-19(18)15-24(20)23/h3-15,25H,1-2H3
InChIKeyBTIHLSGEMWYYRK-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 56.93
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 1-(2,3-dimethyl-1H-inden-1-yl)anthracene?
The IUPAC name of 1-(2,3-dimethyl-1H-inden-1-yl)anthracene (CID 172691633) is 1-(2,3-dimethyl-1H-inden-1-yl)anthracene.
What is the SMILES notation for 1-(2,3-dimethyl-1H-inden-1-yl)anthracene?
The canonical SMILES for 1-(2,3-dimethyl-1H-inden-1-yl)anthracene is CC1=C(C)C(c2cccc3cc4ccccc4cc23)c2ccccc21.
What is the InChIKey of 1-(2,3-dimethyl-1H-inden-1-yl)anthracene?
The InChIKey is BTIHLSGEMWYYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-16-17(2)25(22-12-6-5-11-21(16)22)23-13-7-10-20-14-18-8-3-4-9-19(18)15-24(20)23/h3-15,25H,1-2H3.
What are the key properties of 1-(2,3-dimethyl-1H-inden-1-yl)anthracene?
1-(2,3-dimethyl-1H-inden-1-yl)anthracene has a molecular weight of 320.44 g/mol, XLogP of 6.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-1H-inden-1-yl)anthracene is sourced from PubChem (CID 172691633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).