6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine

C89H84N2O12P4 — CID 91605427

About 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine

6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine (PubChem CID 91605427) has the molecular formula C89H84N2O12P4 and a molecular weight of 1497.55 g/mol. Its IUPAC name is 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine.

Molecular Properties

• Compound Name: 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine
• PubChem CID: 91605427
• Molecular Formula: C89H84N2O12P4
• Molecular Weight: 1497.55 g/mol
• Exact Mass: 1496.50
• IUPAC Name: 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine
• SMILES: COc1cc(C)c2op(Oc3c(C)cc(C)cc3-c3cc(C)cc(C)c3OP3Nc4ccccc4-c4ccccc43)oc3c(C)cc(OC)cc3c2c1.COc1cc(C)c2op(Oc3c(C)cc(C)cc3-c3cc(C)cc(C)c3OP3c4ccccc4-c4ccccc4N3C)oc3c(C)cc(OC)cc3c2c1
• InChI: InChI=1S/C45H43NO6P2.C44H41NO6P2/c1-26-18-28(3)42(49-53-41-17-13-11-15-35(41)34-14-10-12-16-40(34)46(53)7)36(20-26)37-21-27(2)19-29(4)43(37)50-54-51-44-30(5)22-32(47-8)24-38(44)39-25-33(48-9)23-31(6)45(39)52-54;1-25-17-27(3)41(48-52-40-16-12-10-14-34(40)33-13-9-11-15-39(33)45-52)35(19-25)36-20-26(2)18-28(4)42(36)49-53-50-43-29(5)21-31(46-7)23-37(43)38-24-32(47-8)22-30(6)44(38)51-53/h10-25H,1-9H3;9-24,45H,1-8H3
• InChIKey: YKINKJTUNNZHNZ-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 141.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.55
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine?

The IUPAC name of 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine (CID 91605427) is 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine.

What is the SMILES notation for 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine?

The canonical SMILES for 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine is COc1cc(C)c2op(Oc3c(C)cc(C)cc3-c3cc(C)cc(C)c3OP3Nc4ccccc4-c4ccccc43)oc3c(C)cc(OC)cc3c2c1.COc1cc(C)c2op(Oc3c(C)cc(C)cc3-c3cc(C)cc(C)c3OP3c4ccccc4-c4ccccc4N3C)oc3c(C)cc(OC)cc3c2c1.

What is the InChIKey of 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine?

The InChIKey is YKINKJTUNNZHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H43NO6P2.C44H41NO6P2/c1-26-18-28(3)42(49-53-41-17-13-11-15-35(41)34-14-10-12-16-40(34)46(53)7)36(20-26)37-21-27(2)19-29(4)43(37)50-54-51-44-30(5)22-32(47-8)24-38(44)39-25-33(48-9)23-31(6)45(39)52-54;1-25-17-27(3)41(48-52-40-16-12-10-14-34(40)33-13-9-11-15-39(33)45-52)35(19-25)36-20-26(2)18-28(4)42(36)49-53-50-43-29(5)21-31(46-7)23-37(43)38-24-32(47-8)22-30(6)44(38)51-53/h10-25H,1-9H3;9-24,45H,1-8H3.

What are the key properties of 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine?

6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine has a molecular weight of 1497.55 g/mol, XLogP of 25.58, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5H-benzo[c][2,1]benzazaphosphinine;6-[2-[2-(2,10-dimethoxy-4,8-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5-dimethylphenyl]-4,6-dimethylphenoxy]-5-methylbenzo[c][2,1]benzazaphosphinine is sourced from PubChem (CID 91605427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).