[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane

C33H29O2P — CID 132574561

IUPAC[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H29O2P/c1-34-28-19-13-25(14-20-28)33(26-15-21-29(35-2)22-16-26)27-17-23-32(24-18-27)36(30-9-5-3-6-10-30)31-11-7-4-8-12-31/h3-24,33H,1-2H3
InChIKeyHRGHUYOGDXYKMZ-UHFFFAOYSA-N
MW488.57 g/mol
LogP6.64
Rot. Bonds8

About [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane

[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane (PubChem CID 132574561) has the molecular formula C33H29O2P and a molecular weight of 488.57 g/mol. Its IUPAC name is [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
PubChem CID132574561
Molecular FormulaC33H29O2P
Molecular Weight488.57 g/mol
Exact Mass488.19
IUPAC Name[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C33H29O2P/c1-34-28-19-13-25(14-20-28)33(26-15-21-29(35-2)22-16-26)27-17-23-32(24-18-27)36(30-9-5-3-6-10-30)31-11-7-4-8-12-31/h3-24,33H,1-2H3
InChIKeyHRGHUYOGDXYKMZ-UHFFFAOYSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
nickel;tetrakis(tris(4-methoxyphenyl)phosphane)
CID 161091437
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
[2-bis(4-methoxyphenyl)phosphanylphenyl]-bis(4-methoxyphenyl)phosphane
CID 87320481
dichlororuthenium;tris(4-methoxyphenyl)phosphane
CID 134991883
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
(14-methoxyhexahelicen-3-yl)-diphenylphosphane
CID 102159537
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
palladium;ruthenium;triphenylphosphane
CID 174683160
ethane;triphenylphosphane
CID 90942156

Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane?
The IUPAC name of [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane (CID 132574561) is [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane?
The canonical SMILES for [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane is COc1ccc(C(c2ccc(OC)cc2)c2ccc(P(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane?
The InChIKey is HRGHUYOGDXYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29O2P/c1-34-28-19-13-25(14-20-28)33(26-15-21-29(35-2)22-16-26)27-17-23-32(24-18-27)36(30-9-5-3-6-10-30)31-11-7-4-8-12-31/h3-24,33H,1-2H3.
What are the key properties of [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane?
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane has a molecular weight of 488.57 g/mol, XLogP of 6.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 132574561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).