6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane

C103H92F5O8P5 — CID 161029743

IUPAC6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane
SMILESC.COc1ccc(Op2oc3ccccc3c3ccccc3o2)c(-c2cc(OC)ccc2Op2oc3ccccc3c3ccccc3o2)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(P(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C38H28O8P2.C24H27P.C21H18F3P.C19H15F2P.CH4/c1-39-25-19-21-37(45-47-41-33-15-7-3-11-27(33)28-12-4-8-16-34(28)42-47)31(23-25)32-24-26(40-2)20-22-38(32)46-48-43-35-17-9-5-13-29(35)30-14-6-10-18-36(30)44-48;1-16-7-17(2)11-22(10-16)25(23-12-18(3)8-19(4)13-23)24-14-20(5)9-21(6)15-24;1-15-3-9-18(10-4-15)25(19-11-5-16(2)6-12-19)20-13-7-17(8-14-20)21(22,23)24;1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19;/h3-24H,1-2H3;7-15H,1-6H3;3-14H,1-2H3;2-13H,1H3;1H4
InChIKeyTZLHLNDXUWIPCS-UHFFFAOYSA-N
MW1707.72 g/mol
LogP27.31
Rot. Bonds16

About 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane

6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane (PubChem CID 161029743) has the molecular formula C103H92F5O8P5 and a molecular weight of 1707.72 g/mol. Its IUPAC name is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane
PubChem CID161029743
Molecular FormulaC103H92F5O8P5
Molecular Weight1707.72 g/mol
Exact Mass1706.54
IUPAC Name6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane
SMILESC.COc1ccc(Op2oc3ccccc3c3ccccc3o2)c(-c2cc(OC)ccc2Op2oc3ccccc3c3ccccc3o2)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(P(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C38H28O8P2.C24H27P.C21H18F3P.C19H15F2P.CH4/c1-39-25-19-21-37(45-47-41-33-15-7-3-11-27(33)28-12-4-8-16-34(28)42-47)31(23-25)32-24-26(40-2)20-22-38(32)46-48-43-35-17-9-5-13-29(35)30-14-6-10-18-36(30)44-48;1-16-7-17(2)11-22(10-16)25(23-12-18(3)8-19(4)13-23)24-14-20(5)9-21(6)15-24;1-15-3-9-18(10-4-15)25(19-11-5-16(2)6-12-19)20-13-7-17(8-14-20)21(22,23)24;1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19;/h3-24H,1-2H3;7-15H,1-6H3;3-14H,1-2H3;2-13H,1H3;1H4
InChIKeyTZLHLNDXUWIPCS-UHFFFAOYSA-N
XLogP27.31
TPSA89.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001707.72
LogP ≤ 527.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane with MolForge

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

Launch Full Analysis

Related Compounds

6,6'-[[3,3'-Bis(1,1-dimethylethyl)-5,5'-dimethoxy[1,1'-biphenyl]-2,2'-diyl]bis(oxy)]bis[dibenzo[d,f][1,3,2]dioxaphosphepin]
CID 10865829
6,6'-[(2R,4R)-2,4-Pentanediylbis(oxy)]bis[2,10-dimethoxy-4,8-bis(2-methyl-2-propanyl)dibenzo[d,f][1,3,2]dioxaphosphepine]
CID 11029302
[2-Tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] diphenyl phosphite
CID 11062032
4,4'-(Oxybis(2,1-phenylene))didinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 11239787
[2-Tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] bis(4-nonylphenyl) phosphite
CID 22944100
(4-Fluorophenyl)-[2-[2-(1,2,4,8,10,11-hexamethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]phosphane
CID 57937690
6-[2-[2-(2,10-Difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 59931134
6-[2-[2-(2,10-Difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 59931141
4,8-Ditert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 117937200
6-[6-Tert-butyl-2-[3-tert-butyl-2-(2,10-difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-6-methylphenyl]-4-methoxy-3-methylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 140414085
2,4,8,10-Tetratert-butyl-6-[6-tert-butyl-2-[3-tert-butyl-2-(2,10-difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-6-methylphenyl]-4-methoxy-3-methylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 140414111
[6-Tert-butyl-2-[5-tert-butyl-3-methoxy-2-methyl-6-(2,4,8,10-tetratert-butyl-1,11-dimethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4-methoxy-3-methylphenoxy]-(4-fluorophenyl)phosphane
CID 140512539

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane?
The IUPAC name of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane (CID 161029743) is 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane?
The canonical SMILES for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane is C.COc1ccc(Op2oc3ccccc3c3ccccc3o2)c(-c2cc(OC)ccc2Op2oc3ccccc3c3ccccc3o2)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc(P(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane?
The InChIKey is TZLHLNDXUWIPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O8P2.C24H27P.C21H18F3P.C19H15F2P.CH4/c1-39-25-19-21-37(45-47-41-33-15-7-3-11-27(33)28-12-4-8-16-34(28)42-47)31(23-25)32-24-26(40-2)20-22-38(32)46-48-43-35-17-9-5-13-29(35)30-14-6-10-18-36(30)44-48;1-16-7-17(2)11-22(10-16)25(23-12-18(3)8-19(4)13-23)24-14-20(5)9-21(6)15-24;1-15-3-9-18(10-4-15)25(19-11-5-16(2)6-12-19)20-13-7-17(8-14-20)21(22,23)24;1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19;/h3-24H,1-2H3;7-15H,1-6H3;3-14H,1-2H3;2-13H,1H3;1H4.
What are the key properties of 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane?
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane has a molecular weight of 1707.72 g/mol, XLogP of 27.31, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-5-methoxyphenyl)-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;bis(4-fluorophenyl)-(4-methylphenyl)phosphane;bis(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphane;methane;tris(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 161029743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).