2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole

C24H19O2P — CID 10970687

IUPAC2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole
SMILESc1ccc(P2(c3ccccc3)(c3ccccc3)Oc3ccccc3O2)cc1
InChIInChI=1S/C24H19O2P/c1-4-12-20(13-5-1)27(21-14-6-2-7-15-21,22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)26-27/h1-19H
InChIKeyUQTGPVITPWWFIE-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.82
Rot. Bonds3

About 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole

2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole (PubChem CID 10970687) has the molecular formula C24H19O2P and a molecular weight of 370.39 g/mol. Its IUPAC name is 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole.

Molecular Properties

Compound Name2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole
PubChem CID10970687
Molecular FormulaC24H19O2P
Molecular Weight370.39 g/mol
Exact Mass370.11
IUPAC Name2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole
SMILESc1ccc(P2(c3ccccc3)(c3ccccc3)Oc3ccccc3O2)cc1
InChIInChI=1S/C24H19O2P/c1-4-12-20(13-5-1)27(21-14-6-2-7-15-21,22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)26-27/h1-19H
InChIKeyUQTGPVITPWWFIE-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.82
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

2,2,2-triphenyl-1,3,2λ5-dioxaphosphepane-4,7-dione
CID 133053627
4-bromo-6-tert-butyl-2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole
CID 11237464
4,5-dimethyl-2,2,2-triphenyl-1,3,2λ5-dioxaphospholane
CID 85358454
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
(3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole
CID 13494364
5-phenyl-5λ5-phosphaspiro[4.4]nonane
CID 23419870
2,2'-spirobi[1,3-benzodioxole]
CID 10977219
benzene;1,3-benzodioxole
CID 158998325
N-[2-(diethylamino-methyl-phenylsilyl)ethyl-methyl-phenylsilyl]-N-ethylethanamine
CID 71364497
1,3,2-benzodioxastannole 2-oxide
CID 70356717
(3R,4R)-3-methyl-2,2,2,4-tetraphenyl-1,2λ5-oxaphosphetane
CID 134876417
2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
CID 23418974

Frequently Asked Questions

What is the IUPAC name of 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole?
The IUPAC name of 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole (CID 10970687) is 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole.
What is the SMILES notation for 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole?
The canonical SMILES for 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole is c1ccc(P2(c3ccccc3)(c3ccccc3)Oc3ccccc3O2)cc1.
What is the InChIKey of 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole?
The InChIKey is UQTGPVITPWWFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19O2P/c1-4-12-20(13-5-1)27(21-14-6-2-7-15-21,22-16-8-3-9-17-22)25-23-18-10-11-19-24(23)26-27/h1-19H.
What are the key properties of 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole?
2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole has a molecular weight of 370.39 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole is sourced from PubChem (CID 10970687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).