[diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane

C28H27O3P — CID 175173329

IUPAC[diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane
SMILESCOc1cc(C(P)(c2ccccc2)c2ccccc2)c(-c2ccccc2)c(OC)c1OC
InChIInChI=1S/C28H27O3P/c1-29-24-19-23(25(20-13-7-4-8-14-20)27(31-3)26(24)30-2)28(32,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,32H2,1-3H3
InChIKeyPFGPKEGCOFOBKH-UHFFFAOYSA-N
MW442.50 g/mol
LogP6.55
Rot. Bonds7

About [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane

[diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane (PubChem CID 175173329) has the molecular formula C28H27O3P and a molecular weight of 442.50 g/mol. Its IUPAC name is [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane.

Molecular Properties

Compound Name[diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane
PubChem CID175173329
Molecular FormulaC28H27O3P
Molecular Weight442.50 g/mol
Exact Mass442.17
IUPAC Name[diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane
SMILESCOc1cc(C(P)(c2ccccc2)c2ccccc2)c(-c2ccccc2)c(OC)c1OC
InChIInChI=1S/C28H27O3P/c1-29-24-19-23(25(20-13-7-4-8-14-20)27(31-3)26(24)30-2)28(32,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,32H2,1-3H3
InChIKeyPFGPKEGCOFOBKH-UHFFFAOYSA-N
XLogP6.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
4-methoxy-1-phenylnaphthalene-2-carbonitrile
CID 24974972
2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 139609935
(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
CID 71574701
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
5,6,7-trimethoxy-1-phenylisoquinoline
CID 134913791
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane
CID 20730418
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978
6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol
CID 102302660
[(2-methylphenyl)-diphenylmethyl]phosphane
CID 90111831

Frequently Asked Questions

What is the IUPAC name of [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane?
The IUPAC name of [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane (CID 175173329) is [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane.
What is the SMILES notation for [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane?
The canonical SMILES for [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane is COc1cc(C(P)(c2ccccc2)c2ccccc2)c(-c2ccccc2)c(OC)c1OC.
What is the InChIKey of [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane?
The InChIKey is PFGPKEGCOFOBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27O3P/c1-29-24-19-23(25(20-13-7-4-8-14-20)27(31-3)26(24)30-2)28(32,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,32H2,1-3H3.
What are the key properties of [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane?
[diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane has a molecular weight of 442.50 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-(3,4,5-trimethoxy-2-phenylphenyl)methyl]phosphane is sourced from PubChem (CID 175173329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).