1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium

C20H25N2P+2 — CID 164584882

IUPAC1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium
SMILESCCp1[n+](-c2c(C)cccc2C)cc[n+]1-c1c(C)cccc1C
InChIInChI=1S/C20H25N2P/c1-6-23-21(19-15(2)9-7-10-16(19)3)13-14-22(23)20-17(4)11-8-12-18(20)5/h7-14H,6H2,1-5H3/q+2
InChIKeySHWXLRVLBYWCBR-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.48
Rot. Bonds3

About 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium

1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium (PubChem CID 164584882) has the molecular formula C20H25N2P+2 and a molecular weight of 324.41 g/mol. Its IUPAC name is 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium.

Molecular Properties

Compound Name1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium
PubChem CID164584882
Molecular FormulaC20H25N2P+2
Molecular Weight324.41 g/mol
Exact Mass324.17
IUPAC Name1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium
SMILESCCp1[n+](-c2c(C)cccc2C)cc[n+]1-c1c(C)cccc1C
InChIInChI=1S/C20H25N2P/c1-6-23-21(19-15(2)9-7-10-16(19)3)13-14-22(23)20-17(4)11-8-12-18(20)5/h7-14H,6H2,1-5H3/q+2
InChIKeySHWXLRVLBYWCBR-UHFFFAOYSA-N
XLogP4.48
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,6-dimethylphenyl)-2,6-diethyl-4-(4-methylphenyl)pyridin-1-ium
CID 177325131
1-(2,6-dimethylphenyl)propan-1-amine
CID 55282920
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1,2-xylene
CID 173422016
butane;2,6-dimethylphenol;ethane
CID 143018459
propane;1,2-xylene;1,3-xylene
CID 153377631
1-(2,6-dimethylphenyl)butan-1-amine
CID 55283008
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
1,5-dimethylnaphthalene
CID 162159355
benzene;1,2,3-trimethylbenzene
CID 159605245

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium?
The IUPAC name of 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium (CID 164584882) is 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium.
What is the SMILES notation for 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium?
The canonical SMILES for 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium is CCp1[n+](-c2c(C)cccc2C)cc[n+]1-c1c(C)cccc1C.
What is the InChIKey of 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium?
The InChIKey is SHWXLRVLBYWCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N2P/c1-6-23-21(19-15(2)9-7-10-16(19)3)13-14-22(23)20-17(4)11-8-12-18(20)5/h7-14H,6H2,1-5H3/q+2.
What are the key properties of 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium?
1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium has a molecular weight of 324.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,6-dimethylphenyl)-2-ethyl-1,3,2-diazaphosphole-1,3-diium is sourced from PubChem (CID 164584882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).