3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

C37H30O6P2 — CID 59106226

About 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene

3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (PubChem CID 59106226) has the molecular formula C37H30O6P2 and a molecular weight of 632.59 g/mol. Its IUPAC name is 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.

Molecular Properties

• Compound Name: 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
• PubChem CID: 59106226
• Molecular Formula: C37H30O6P2
• Molecular Weight: 632.59 g/mol
• Exact Mass: 632.15
• IUPAC Name: 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
• SMILES: Cc1cc(C)c(OP2Oc3cccc4cccc(c34)O2)c(Cc2cc(C)cc(C)c2OP2Oc3cccc4cccc(c34)O2)c1
• InChI: InChI=1S/C37H30O6P2/c1-22-17-24(3)36(42-44-38-30-13-5-9-26-10-6-14-31(39-44)34(26)30)28(19-22)21-29-20-23(2)18-25(4)37(29)43-45-40-32-15-7-11-27-12-8-16-33(41-45)35(27)32/h5-20H,21H2,1-4H3
• InChIKey: RVHNGVYQUALYQU-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.59
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?

The IUPAC name of 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene (CID 59106226) is 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene.

What is the SMILES notation for 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?

The canonical SMILES for 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is Cc1cc(C)c(OP2Oc3cccc4cccc(c34)O2)c(Cc2cc(C)cc(C)c2OP2Oc3cccc4cccc(c34)O2)c1.

What is the InChIKey of 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?

The InChIKey is RVHNGVYQUALYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30O6P2/c1-22-17-24(3)36(42-44-38-30-13-5-9-26-10-6-14-31(39-44)34(26)30)28(19-22)21-29-20-23(2)18-25(4)37(29)43-45-40-32-15-7-11-27-12-8-16-33(41-45)35(27)32/h5-20H,21H2,1-4H3.

What are the key properties of 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene?

3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene has a molecular weight of 632.59 g/mol, XLogP of 10.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[2-(2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-yloxy)-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-2,4-dioxa-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene is sourced from PubChem (CID 59106226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).