4-methyl-1H-phenalene;1H-phenalene

C27H22 — CID 173399695

IUPAC4-methyl-1H-phenalene;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.Cc1ccc2cccc3c2c1C=CC3
InChIInChI=1S/C14H12.C13H10/c1-10-8-9-12-5-2-4-11-6-3-7-13(10)14(11)12;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h2-5,7-9H,6H2,1H3;1-8H,9H2
InChIKeyWSJSYXZSXHCILP-UHFFFAOYSA-N
MW346.47 g/mol
LogP7.13
Rot. Bonds

About 4-methyl-1H-phenalene;1H-phenalene

4-methyl-1H-phenalene;1H-phenalene (PubChem CID 173399695) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-methyl-1H-phenalene;1H-phenalene.

Molecular Properties

Compound Name4-methyl-1H-phenalene;1H-phenalene
PubChem CID173399695
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name4-methyl-1H-phenalene;1H-phenalene
SMILESC1=Cc2cccc3cccc(c23)C1.Cc1ccc2cccc3c2c1C=CC3
InChIInChI=1S/C14H12.C13H10/c1-10-8-9-12-5-2-4-11-6-3-7-13(10)14(11)12;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h2-5,7-9H,6H2,1H3;1-8H,9H2
InChIKeyWSJSYXZSXHCILP-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-methyl-1H-phenalene;1H-phenalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-phenalene;1H-phenalene?
The IUPAC name of 4-methyl-1H-phenalene;1H-phenalene (CID 173399695) is 4-methyl-1H-phenalene;1H-phenalene.
What is the SMILES notation for 4-methyl-1H-phenalene;1H-phenalene?
The canonical SMILES for 4-methyl-1H-phenalene;1H-phenalene is C1=Cc2cccc3cccc(c23)C1.Cc1ccc2cccc3c2c1C=CC3.
What is the InChIKey of 4-methyl-1H-phenalene;1H-phenalene?
The InChIKey is WSJSYXZSXHCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C13H10/c1-10-8-9-12-5-2-4-11-6-3-7-13(10)14(11)12;1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h2-5,7-9H,6H2,1H3;1-8H,9H2.
What are the key properties of 4-methyl-1H-phenalene;1H-phenalene?
4-methyl-1H-phenalene;1H-phenalene has a molecular weight of 346.47 g/mol, XLogP of 7.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-phenalene;1H-phenalene is sourced from PubChem (CID 173399695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).