1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene

C32H32O2 — CID 148646506

IUPAC1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene
SMILESCc1ccc(Oc2ccc(C3(C)CC(C)(C)c4ccc(Oc5ccc(C)cc5)cc43)cc2)cc1
InChIInChI=1S/C32H32O2/c1-22-6-12-25(13-7-22)33-27-16-10-24(11-17-27)32(5)21-31(3,4)29-19-18-28(20-30(29)32)34-26-14-8-23(2)9-15-26/h6-20H,21H2,1-5H3
InChIKeyNLBCZQWKNLMACX-UHFFFAOYSA-N
MW448.61 g/mol
LogP8.88
Rot. Bonds5

About 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene

1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene (PubChem CID 148646506) has the molecular formula C32H32O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene.

Molecular Properties

Compound Name1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene
PubChem CID148646506
Molecular FormulaC32H32O2
Molecular Weight448.61 g/mol
Exact Mass448.24
IUPAC Name1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene
SMILESCc1ccc(Oc2ccc(C3(C)CC(C)(C)c4ccc(Oc5ccc(C)cc5)cc43)cc2)cc1
InChIInChI=1S/C32H32O2/c1-22-6-12-25(13-7-22)33-27-16-10-24(11-17-27)32(5)21-31(3,4)29-19-18-28(20-30(29)32)34-26-14-8-23(2)9-15-26/h6-20H,21H2,1-5H3
InChIKeyNLBCZQWKNLMACX-UHFFFAOYSA-N
XLogP8.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene 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 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene?
The IUPAC name of 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene (CID 148646506) is 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene.
What is the SMILES notation for 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene?
The canonical SMILES for 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene is Cc1ccc(Oc2ccc(C3(C)CC(C)(C)c4ccc(Oc5ccc(C)cc5)cc43)cc2)cc1.
What is the InChIKey of 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene?
The InChIKey is NLBCZQWKNLMACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O2/c1-22-6-12-25(13-7-22)33-27-16-10-24(11-17-27)32(5)21-31(3,4)29-19-18-28(20-30(29)32)34-26-14-8-23(2)9-15-26/h6-20H,21H2,1-5H3.
What are the key properties of 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene?
1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene has a molecular weight of 448.61 g/mol, XLogP of 8.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene is sourced from PubChem (CID 148646506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).