2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate

C25H21ClO7 — CID 2884638

IUPAC2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
SMILESCOc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(OC)cc3)[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H21O3.ClHO4/c1-26-22-12-8-19(9-13-22)24-16-21(18-6-4-3-5-7-18)17-25(28-24)20-10-14-23(27-2)15-11-20;2-1(3,4)5/h3-17H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyBXUXWKVZQIPOBA-UHFFFAOYSA-M
MW468.89 g/mol
LogP1.82
Rot. Bonds5

About 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate

2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate (PubChem CID 2884638) has the molecular formula C25H21ClO7 and a molecular weight of 468.89 g/mol. Its IUPAC name is 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate.

Molecular Properties

Compound Name2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
PubChem CID2884638
Molecular FormulaC25H21ClO7
Molecular Weight468.89 g/mol
Exact Mass468.10
IUPAC Name2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
SMILESCOc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(OC)cc3)[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C25H21O3.ClHO4/c1-26-22-12-8-19(9-13-22)24-16-21(18-6-4-3-5-7-18)17-25(28-24)20-10-14-23(27-2)15-11-20;2-1(3,4)5/h3-17H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyBXUXWKVZQIPOBA-UHFFFAOYSA-M
XLogP1.82
TPSA122.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.89
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(4-methoxyphenyl)-6-methylpyrylium perchlorate
CID 12779622
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium;trifluoromethanesulfonate
CID 44888171
[4-(2,6-diphenylpyrylium-4-yl)phenyl] acetate perchlorate
CID 13402286
CID 134909205
CID 134909205
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
2,4-bis(4-methoxyphenyl)pyrylium perchlorate
CID 2751505
2,6-bis(4-methoxyphenyl)-4-(3-nitrophenyl)pyrylium
CID 134912639
2-(4-methoxyphenyl)pyrylium perchlorate
CID 139687640
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
7-(2,6-diphenylpyrylium-4-yl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium diperchlorate
CID 44889744

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate?
The IUPAC name of 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate (CID 2884638) is 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate.
What is the SMILES notation for 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate?
The canonical SMILES for 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate is COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(OC)cc3)[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate?
The InChIKey is BXUXWKVZQIPOBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H21O3.ClHO4/c1-26-22-12-8-19(9-13-22)24-16-21(18-6-4-3-5-7-18)17-25(28-24)20-10-14-23(27-2)15-11-20;2-1(3,4)5/h3-17H,1-2H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate?
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate has a molecular weight of 468.89 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate is sourced from PubChem (CID 2884638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).