2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium

C22H23NOP+ — CID 21135271

IUPAC2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium
SMILESCc1cc(-c2ccccc2)c2c(c1)P(c1ccccc1)[N+](C)(C)CO2
InChIInChI=1S/C22H23NOP/c1-17-14-20(18-10-6-4-7-11-18)22-21(15-17)25(23(2,3)16-24-22)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3/q+1
InChIKeyVHAIIAMEQOAASP-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.44
Rot. Bonds2

About 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium

2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium (PubChem CID 21135271) has the molecular formula C22H23NOP+ and a molecular weight of 348.41 g/mol. Its IUPAC name is 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium.

Molecular Properties

Compound Name2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium
PubChem CID21135271
Molecular FormulaC22H23NOP+
Molecular Weight348.41 g/mol
Exact Mass348.15
IUPAC Name2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium
SMILESCc1cc(-c2ccccc2)c2c(c1)P(c1ccccc1)[N+](C)(C)CO2
InChIInChI=1S/C22H23NOP/c1-17-14-20(18-10-6-4-7-11-18)22-21(15-17)25(23(2,3)16-24-22)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3/q+1
InChIKeyVHAIIAMEQOAASP-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3'-(2,6-dimethylphenyl)-3,3',6,6',8-pentamethyl-3,8'-diphenyl-2,2'-spirobi[4H-1,3-benzoxazin-3-ium]
CID 21135377
(4-methyl-2,6-diphenylphenyl)stibane
CID 173432730
1,1,3,3,6-pentamethyl-8-phenyl-2,4-dihydroquinazoline-1,3-diium
CID 21135180
8-methyl-6-phenyl-4,4a-dihydrodibenzofuran
CID 121420675
3,6-dimethyl-1,8-diphenyl-9H-carbazole
CID 71440735
7-methyl-4,5-diphenyl-1,3-benzodioxole
CID 57112603
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
CID 140664566
ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane
CID 139468098
chloro-tris(2,5-dimethyl-3-phenylphenyl)silane
CID 88962543
[3-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)phenyl]methanamine
CID 174553963
3,6-dimethyl-1-phenylnaphthalene
CID 123256332

Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium?
The IUPAC name of 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium (CID 21135271) is 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium.
What is the SMILES notation for 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium?
The canonical SMILES for 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium is Cc1cc(-c2ccccc2)c2c(c1)P(c1ccccc1)[N+](C)(C)CO2.
What is the InChIKey of 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium?
The InChIKey is VHAIIAMEQOAASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NOP/c1-17-14-20(18-10-6-4-7-11-18)22-21(15-17)25(23(2,3)16-24-22)19-12-8-5-9-13-19/h4-15H,16H2,1-3H3/q+1.
What are the key properties of 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium?
2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium has a molecular weight of 348.41 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethyl-1,5-diphenyl-3H-4,2,1-benzoxazaphosphinin-2-ium is sourced from PubChem (CID 21135271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).