[2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane

C54H48O2P2 — CID 58152974

IUPAC[2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane
SMILESCOc1c(C)c(C)c(-c2c(C)c(C)c(OC)c(-c3ccccc3)c2P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C54H48O2P2/c1-37-39(3)51(55-5)49(41-25-13-7-14-26-41)53(57(43-29-17-9-18-30-43)44-31-19-10-20-32-44)47(37)48-38(2)40(4)52(56-6)50(42-27-15-8-16-28-42)54(48)58(45-33-21-11-22-34-45)46-35-23-12-24-36-46/h7-36H,1-6H3
InChIKeyXUQAVIHCSCJFOI-UHFFFAOYSA-N
MW790.92 g/mol
LogP11.45
Rot. Bonds11

About [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane

[2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane (PubChem CID 58152974) has the molecular formula C54H48O2P2 and a molecular weight of 790.92 g/mol. Its IUPAC name is [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane
PubChem CID58152974
Molecular FormulaC54H48O2P2
Molecular Weight790.92 g/mol
Exact Mass790.31
IUPAC Name[2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane
SMILESCOc1c(C)c(C)c(-c2c(C)c(C)c(OC)c(-c3ccccc3)c2P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C54H48O2P2/c1-37-39(3)51(55-5)49(41-25-13-7-14-26-41)53(57(43-29-17-9-18-30-43)44-31-19-10-20-32-44)47(37)48-38(2)40(4)52(56-6)50(42-27-15-8-16-28-42)54(48)58(45-33-21-11-22-34-45)46-35-23-12-24-36-46/h7-36H,1-6H3
InChIKeyXUQAVIHCSCJFOI-UHFFFAOYSA-N
XLogP11.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.92
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
[3-(2-diphenylphosphanyl-1-benzothiophen-3-yl)-1-benzothiophen-2-yl]-diphenylphosphane;[2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane;[3-(4-diphenylphosphanyl-6-methoxy-2-methyl-3-pyridinyl)-6-methoxy-2-methyl-4-pyridinyl]-diphenylphosphane;[1-(2-diphenylphosphanyl-6-methylphenyl)naphthalen-2-yl]-diphenylphosphane;2,3,5-trimethyl-4-(2,4,5-trimethylthiophen-3-yl)thiophene
CID 158566636
5-(bromomethyl)-2-methoxy-1,3-dimethylbenzene;triphenylphosphane
CID 122359838
[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
CID 10284023
2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
CID 173306181
2-(2-methoxy-3,4,5,6-tetramethylphenyl)phenol
CID 21315494
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
(10-diphenylphosphanylanthracen-9-yl)-diphenylphosphane
CID 12979651
4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
CID 160922447
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978

Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane?
The IUPAC name of [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane (CID 58152974) is [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane.
What is the SMILES notation for [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane?
The canonical SMILES for [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane is COc1c(C)c(C)c(-c2c(C)c(C)c(OC)c(-c3ccccc3)c2P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane?
The InChIKey is XUQAVIHCSCJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48O2P2/c1-37-39(3)51(55-5)49(41-25-13-7-14-26-41)53(57(43-29-17-9-18-30-43)44-31-19-10-20-32-44)47(37)48-38(2)40(4)52(56-6)50(42-27-15-8-16-28-42)54(48)58(45-33-21-11-22-34-45)46-35-23-12-24-36-46/h7-36H,1-6H3.
What are the key properties of [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane?
[2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane has a molecular weight of 790.92 g/mol, XLogP of 11.45, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphanyl-4-methoxy-5,6-dimethyl-3-phenylphenyl)-5-methoxy-3,4-dimethyl-6-phenylphenyl]-diphenylphosphane is sourced from PubChem (CID 58152974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).