[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane

C56H64O8P2 — CID 58839126

IUPAC[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c3c(c2-c2c(P(c4cc(C)c(OC)c(C)c4)c4cc(C)c(OC)c(C)c4)cc(C)c4c2OC(C)(C)O4)OC(C)(C)O3)cc1C
InChIInChI=1S/C56H64O8P2/c1-29-19-39(20-30(2)47(29)57-15)65(40-21-31(3)48(58-16)32(4)22-40)43-27-37(9)51-53(63-55(11,12)61-51)45(43)46-44(28-38(10)52-54(46)64-56(13,14)62-52)66(41-23-33(5)49(59-17)34(6)24-41)42-25-35(7)50(60-18)36(8)26-42/h19-28H,1-18H3
InChIKeyXBYWXEOHPGTEAE-UHFFFAOYSA-N
MW927.07 g/mol
LogP11.00
Rot. Bonds11

About [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane

[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (PubChem CID 58839126) has the molecular formula C56H64O8P2 and a molecular weight of 927.07 g/mol. Its IUPAC name is [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
PubChem CID58839126
Molecular FormulaC56H64O8P2
Molecular Weight927.07 g/mol
Exact Mass926.41
IUPAC Name[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c3c(c2-c2c(P(c4cc(C)c(OC)c(C)c4)c4cc(C)c(OC)c(C)c4)cc(C)c4c2OC(C)(C)O4)OC(C)(C)O3)cc1C
InChIInChI=1S/C56H64O8P2/c1-29-19-39(20-30(2)47(29)57-15)65(40-21-31(3)48(58-16)32(4)22-40)43-27-37(9)51-53(63-55(11,12)61-51)45(43)46-44(28-38(10)52-54(46)64-56(13,14)62-52)66(41-23-33(5)49(59-17)34(6)24-41)42-25-35(7)50(60-18)36(8)26-42/h19-28H,1-18H3
InChIKeyXBYWXEOHPGTEAE-UHFFFAOYSA-N
XLogP11.00
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.07
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)
CID 11017510
4,4'-Bi-1,3-benzodioxole-5,5'-diylbis{bis[4-methoxy-3,5-bis(2-methyl-2-propanyl)phenyl]phosphine}
CID 11194192
(S)-(-)-5,5'-Bis(di(3,5-xylyl)phosphino)-4,4'-bi-1,3-benzodioxole
CID 11297101
2,2',3,3',4,4'-Hexamethoxy-7,7'-dimethyl-5,5'-di(propan-2-yl)-2h,2'h-8,8'-binaphtho[1,8-bc]furan
CID 293171
Chlororuthenium(1+);(4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl)-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;chloride
CID 51001217
(R)-Rutheniumdiacetate-(DM-SEGPHOS)
CID 71310556
(S)-RU(Oac)2(DM-segphos)
CID 91999161
10-(4-Methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole
CID 46231592
1-(1,3-benzodioxol-5-yl)-2-[4-[4-[(2R,3S,4S,5R)-5-[4-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenyl]-2-methoxyphenoxy]propan-1-ol
CID 102324179
1,1'-[(4S)-2,2,2',2'-Tetrafluoro[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[1,1-diphenylphosphine]
CID 11332069
[4-(5-Diphenylphosphanyl-2,2-difluoro-3a,7a-dihydro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane
CID 88566340
Acido acetico;(4-(5-difenilfosfanil-1,3-benzodiossol-4-il)-1,3-benzodiossol-5-il)-difenilfosfano;rutenio
CID 71310596

Frequently Asked Questions

What is the IUPAC name of [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The IUPAC name of [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane (CID 58839126) is [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The canonical SMILES for [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2cc(C)c3c(c2-c2c(P(c4cc(C)c(OC)c(C)c4)c4cc(C)c(OC)c(C)c4)cc(C)c4c2OC(C)(C)O4)OC(C)(C)O3)cc1C.
What is the InChIKey of [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The InChIKey is XBYWXEOHPGTEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64O8P2/c1-29-19-39(20-30(2)47(29)57-15)65(40-21-31(3)48(58-16)32(4)22-40)43-27-37(9)51-53(63-55(11,12)61-51)45(43)46-44(28-38(10)52-54(46)64-56(13,14)62-52)66(41-23-33(5)49(59-17)34(6)24-41)42-25-35(7)50(60-18)36(8)26-42/h19-28H,1-18H3.
What are the key properties of [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane has a molecular weight of 927.07 g/mol, XLogP of 11.00, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 58839126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).