bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium

C34H38O3P+ — CID 66871039

IUPACbis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium
SMILESCCc1c(CO[P+](=O)OCc2ccc(-c3ccccc3)c(CC)c2CC)ccc(-c2ccccc2)c1CC
InChIInChI=1S/C34H38O3P/c1-5-29-27(19-21-33(31(29)7-3)25-15-11-9-12-16-25)23-36-38(35)37-24-28-20-22-34(26-17-13-10-14-18-26)32(8-4)30(28)6-2/h9-22H,5-8,23-24H2,1-4H3/q+1
InChIKeyDVSZWDBCXWEHBC-UHFFFAOYSA-N
MW525.65 g/mol
LogP9.66
Rot. Bonds12

About bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium

bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium (PubChem CID 66871039) has the molecular formula C34H38O3P+ and a molecular weight of 525.65 g/mol. Its IUPAC name is bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium
PubChem CID66871039
Molecular FormulaC34H38O3P+
Molecular Weight525.65 g/mol
Exact Mass525.26
IUPAC Namebis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium
SMILESCCc1c(CO[P+](=O)OCc2ccc(-c3ccccc3)c(CC)c2CC)ccc(-c2ccccc2)c1CC
InChIInChI=1S/C34H38O3P/c1-5-29-27(19-21-33(31(29)7-3)25-15-11-9-12-16-25)23-36-38(35)37-24-28-20-22-34(26-17-13-10-14-18-26)32(8-4)30(28)6-2/h9-22H,5-8,23-24H2,1-4H3/q+1
InChIKeyDVSZWDBCXWEHBC-UHFFFAOYSA-N
XLogP9.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;1,2,3-triethyl-4-phenylbenzene
CID 66697424
bis[(2,3-diethyl-4-methylphenyl)methoxy]-oxophosphanium
CID 66870745
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
2,6-diethyl-3-phenylphenol
CID 101302345
4-(2,3,4-triethylphenyl)phenol
CID 101302516
2-benzyl-3-ethyl-1-methyl-4-phenylbenzene
CID 173399247
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
4,7-diphenyl-2,9-bis(2,3,4-triethylphenyl)-1,10-phenanthroline
CID 23405089
1,2-diethyl-4-(4-phenoxyphenyl)-3-phenylbenzene
CID 173252545
1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
1,2-diethyl-3-phenylbenzene;oxalonitrile
CID 174716651
1,2-bis(ethoxymethyl)-3-phenylbenzene
CID 67372084

Frequently Asked Questions

What is the IUPAC name of bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium?
The IUPAC name of bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium (CID 66871039) is bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium.
What is the SMILES notation for bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium?
The canonical SMILES for bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium is CCc1c(CO[P+](=O)OCc2ccc(-c3ccccc3)c(CC)c2CC)ccc(-c2ccccc2)c1CC.
What is the InChIKey of bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium?
The InChIKey is DVSZWDBCXWEHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O3P/c1-5-29-27(19-21-33(31(29)7-3)25-15-11-9-12-16-25)23-36-38(35)37-24-28-20-22-34(26-17-13-10-14-18-26)32(8-4)30(28)6-2/h9-22H,5-8,23-24H2,1-4H3/q+1.
What are the key properties of bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium?
bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium has a molecular weight of 525.65 g/mol, XLogP of 9.66, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,3-diethyl-4-phenylphenyl)methoxy]-oxophosphanium is sourced from PubChem (CID 66871039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).