2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane

C27H23O2P — CID 12520754

IUPAC2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane
SMILESc1ccc(C2OC(c3ccccc3)P(c3ccccc3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C27H23O2P/c1-5-13-21(14-6-1)25-28-26(22-15-7-2-8-16-22)30(24-19-11-4-12-20-24)27(29-25)23-17-9-3-10-18-23/h1-20,25-27H
InChIKeyZDPIPYHLWLIWKF-UHFFFAOYSA-N
MW410.45 g/mol
LogP6.94
Rot. Bonds4

About 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane

2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane (PubChem CID 12520754) has the molecular formula C27H23O2P and a molecular weight of 410.45 g/mol. Its IUPAC name is 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane.

Molecular Properties

Compound Name2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane
PubChem CID12520754
Molecular FormulaC27H23O2P
Molecular Weight410.45 g/mol
Exact Mass410.14
IUPAC Name2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane
SMILESc1ccc(C2OC(c3ccccc3)P(c3ccccc3)C(c3ccccc3)O2)cc1
InChIInChI=1S/C27H23O2P/c1-5-13-21(14-6-1)25-28-26(22-15-7-2-8-16-22)30(24-19-11-4-12-20-24)27(29-25)23-17-9-3-10-18-23/h1-20,25-27H
InChIKeyZDPIPYHLWLIWKF-UHFFFAOYSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 56.94
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

(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
3-(4-phenyl-1,3-dioxetan-2-yl)propanoic acid
CID 70327887
1,2,6-triphenylphosphinan-4-one
CID 12914046
(2R,6R)-1,2,6-triphenylphosphinan-4-one
CID 12914047
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
CID 11716921
CID 11716921
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
(2S,3S)-2,3-dimethyl-1-phenylphosphirane
CID 10844752
5-phenyltetraoxolane
CID 102034769
(2R,3S)-2,3-diphenyl-1,3-oxaphosphinane
CID 23414358

Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane?
The IUPAC name of 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane (CID 12520754) is 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane.
What is the SMILES notation for 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane?
The canonical SMILES for 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane is c1ccc(C2OC(c3ccccc3)P(c3ccccc3)C(c3ccccc3)O2)cc1.
What is the InChIKey of 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane?
The InChIKey is ZDPIPYHLWLIWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23O2P/c1-5-13-21(14-6-1)25-28-26(22-15-7-2-8-16-22)30(24-19-11-4-12-20-24)27(29-25)23-17-9-3-10-18-23/h1-20,25-27H.
What are the key properties of 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane?
2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane has a molecular weight of 410.45 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetraphenyl-1,3,5-dioxaphosphinane is sourced from PubChem (CID 12520754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).