6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran

C₅₁H₃₆O₂ — CID 130421155

About 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran

6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran (PubChem CID 130421155) has the molecular formula C₅₁H₃₆O₂ and a molecular weight of 680.85 g/mol. Its IUPAC name is 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran.

Molecular Properties

• Compound Name: 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran
• PubChem CID: 130421155
• Molecular Formula: C₅₁H₃₆O₂
• Molecular Weight: 680.85 g/mol
• Exact Mass: 680.27
• IUPAC Name: 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran
• SMILES: Cc1ccccc1-c1cccc2c1oc1ccc(C(c3ccccc3)(c3ccccc3)c3ccc4oc5c(-c6ccccc6C)cccc5c4c3)cc12
• InChI: InChI=1S/C51H36O2/c1-33-15-9-11-21-39(33)41-23-13-25-43-45-31-37(27-29-47(45)52-49(41)43)51(35-17-5-3-6-18-35,36-19-7-4-8-20-36)38-28-30-48-46(32-38)44-26-14-24-42(50(44)53-48)40-22-12-10-16-34(40)2/h3-32H,1-2H3
• InChIKey: YDMNUCMWJMISLU-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.85
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran?

The IUPAC name of 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran (CID 130421155) is 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran.

What is the SMILES notation for 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran?

The canonical SMILES for 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran is Cc1ccccc1-c1cccc2c1oc1ccc(C(c3ccccc3)(c3ccccc3)c3ccc4oc5c(-c6ccccc6C)cccc5c4c3)cc12.

What is the InChIKey of 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran?

The InChIKey is YDMNUCMWJMISLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36O2/c1-33-15-9-11-21-39(33)41-23-13-25-43-45-31-37(27-29-47(45)52-49(41)43)51(35-17-5-3-6-18-35,36-19-7-4-8-20-36)38-28-30-48-46(32-38)44-26-14-24-42(50(44)53-48)40-22-12-10-16-34(40)2/h3-32H,1-2H3.

What are the key properties of 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran?

6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran has a molecular weight of 680.85 g/mol, XLogP of 13.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran is sourced from PubChem (CID 130421155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130421155 — identifiers, structure, computed properties (public domain)

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