1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene

C42H40NO6P — CID 67065346

IUPAC1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
SMILESCOc1ccccc1C(OP(N)OC(c1ccccc1)(c1ccccc1OC)c1ccccc1OC)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C42H40NO6P/c1-44-37-27-15-11-23-33(37)41(31-19-7-5-8-20-31,34-24-12-16-28-38(34)45-2)48-50(43)49-42(32-21-9-6-10-22-32,35-25-13-17-29-39(35)46-3)36-26-14-18-30-40(36)47-4/h5-30H,43H2,1-4H3
InChIKeyKHLVKJASWBKHNE-UHFFFAOYSA-N
MW685.76 g/mol
LogP9.22
Rot. Bonds14

About 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene

1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene (PubChem CID 67065346) has the molecular formula C42H40NO6P and a molecular weight of 685.76 g/mol. Its IUPAC name is 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
PubChem CID67065346
Molecular FormulaC42H40NO6P
Molecular Weight685.76 g/mol
Exact Mass685.26
IUPAC Name1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
SMILESCOc1ccccc1C(OP(N)OC(c1ccccc1)(c1ccccc1OC)c1ccccc1OC)(c1ccccc1)c1ccccc1OC
InChIInChI=1S/C42H40NO6P/c1-44-37-27-15-11-23-33(37)41(31-19-7-5-8-20-31,34-24-12-16-28-38(34)45-2)48-50(43)49-42(32-21-9-6-10-22-32,35-25-13-17-29-39(35)46-3)36-26-14-18-30-40(36)47-4/h5-30H,43H2,1-4H3
InChIKeyKHLVKJASWBKHNE-UHFFFAOYSA-N
XLogP9.22
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.76
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene 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

2-amino-1-[bis(2-methoxyphenyl)-phenylmethoxy]propan-1-ol
CID 67730640
2-[2-[2-[bis(2-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 126752153
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
3-[(2-methoxyphenyl)-diphenylmethoxy]propan-1-ol
CID 67427364
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
1-[ethylsulfonyl-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene
CID 70298562
1-[(2-methoxyphenyl)-diphenylmethyl]pyrrolidine
CID 67427806
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
3-(2-methoxyphenyl)penta-1,4-diyn-3-ol
CID 11056360

Frequently Asked Questions

What is the IUPAC name of 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene?
The IUPAC name of 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene (CID 67065346) is 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene.
What is the SMILES notation for 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene?
The canonical SMILES for 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene is COc1ccccc1C(OP(N)OC(c1ccccc1)(c1ccccc1OC)c1ccccc1OC)(c1ccccc1)c1ccccc1OC.
What is the InChIKey of 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene?
The InChIKey is KHLVKJASWBKHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40NO6P/c1-44-37-27-15-11-23-33(37)41(31-19-7-5-8-20-31,34-24-12-16-28-38(34)45-2)48-50(43)49-42(32-21-9-6-10-22-32,35-25-13-17-29-39(35)46-3)36-26-14-18-30-40(36)47-4/h5-30H,43H2,1-4H3.
What are the key properties of 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene?
1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene has a molecular weight of 685.76 g/mol, XLogP of 9.22, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[amino-[bis(2-methoxyphenyl)-phenylmethoxy]phosphanyl]oxy-(2-methoxyphenyl)-phenylmethyl]-2-methoxybenzene is sourced from PubChem (CID 67065346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).