tris(3-methoxyphenyl)-selanylidene-λ5-phosphane

C21H21O3PSe — CID 23421608

IUPACtris(3-methoxyphenyl)-selanylidene-λ5-phosphane
SMILESCOc1cccc(P(=[Se])(c2cccc(OC)c2)c2cccc(OC)c2)c1
InChIInChI=1S/C21H21O3PSe/c1-22-16-7-4-10-19(13-16)25(26,20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3/h4-15H,1-3H3
InChIKeyDFKBEIVLMKHISZ-UHFFFAOYSA-N
MW431.33 g/mol
LogP3.09
Rot. Bonds6

About tris(3-methoxyphenyl)-selanylidene-λ5-phosphane

tris(3-methoxyphenyl)-selanylidene-λ5-phosphane (PubChem CID 23421608) has the molecular formula C21H21O3PSe and a molecular weight of 431.33 g/mol. Its IUPAC name is tris(3-methoxyphenyl)-selanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(3-methoxyphenyl)-selanylidene-λ5-phosphane
PubChem CID23421608
Molecular FormulaC21H21O3PSe
Molecular Weight431.33 g/mol
Exact Mass432.04
IUPAC Nametris(3-methoxyphenyl)-selanylidene-λ5-phosphane
SMILESCOc1cccc(P(=[Se])(c2cccc(OC)c2)c2cccc(OC)c2)c1
InChIInChI=1S/C21H21O3PSe/c1-22-16-7-4-10-19(13-16)25(26,20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3/h4-15H,1-3H3
InChIKeyDFKBEIVLMKHISZ-UHFFFAOYSA-N
XLogP3.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
CID 139245906
CID 139245906
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
CID 153354664
CID 153354664
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
CID 10458332
CID 10458332

Frequently Asked Questions

What is the IUPAC name of tris(3-methoxyphenyl)-selanylidene-λ5-phosphane?
The IUPAC name of tris(3-methoxyphenyl)-selanylidene-λ5-phosphane (CID 23421608) is tris(3-methoxyphenyl)-selanylidene-λ5-phosphane.
What is the SMILES notation for tris(3-methoxyphenyl)-selanylidene-λ5-phosphane?
The canonical SMILES for tris(3-methoxyphenyl)-selanylidene-λ5-phosphane is COc1cccc(P(=[Se])(c2cccc(OC)c2)c2cccc(OC)c2)c1.
What is the InChIKey of tris(3-methoxyphenyl)-selanylidene-λ5-phosphane?
The InChIKey is DFKBEIVLMKHISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3PSe/c1-22-16-7-4-10-19(13-16)25(26,20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3/h4-15H,1-3H3.
What are the key properties of tris(3-methoxyphenyl)-selanylidene-λ5-phosphane?
tris(3-methoxyphenyl)-selanylidene-λ5-phosphane has a molecular weight of 431.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-methoxyphenyl)-selanylidene-λ5-phosphane is sourced from PubChem (CID 23421608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).