3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate

C23H13Cl5O5 — CID 14687807

IUPAC3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate
SMILESClc1ccc(-c2[o+]c(-c3ccc(Cl)cc3)c(Cl)c(-c3ccccc3)c2Cl)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H13Cl4O.ClHO4/c24-17-10-6-15(7-11-17)22-20(26)19(14-4-2-1-3-5-14)21(27)23(28-22)16-8-12-18(25)13-9-16;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1
InChIKeyQGIKGNUVANBPHE-UHFFFAOYSA-M
MW546.62 g/mol
LogP4.42
Rot. Bonds3

About 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate

3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate (PubChem CID 14687807) has the molecular formula C23H13Cl5O5 and a molecular weight of 546.62 g/mol. Its IUPAC name is 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate.

Molecular Properties

Compound Name3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate
PubChem CID14687807
Molecular FormulaC23H13Cl5O5
Molecular Weight546.62 g/mol
Exact Mass543.92
IUPAC Name3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate
SMILESClc1ccc(-c2[o+]c(-c3ccc(Cl)cc3)c(Cl)c(-c3ccccc3)c2Cl)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C23H13Cl4O.ClHO4/c24-17-10-6-15(7-11-17)22-20(26)19(14-4-2-1-3-5-14)21(27)23(28-22)16-8-12-18(25)13-9-16;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1
InChIKeyQGIKGNUVANBPHE-UHFFFAOYSA-M
XLogP4.42
TPSA103.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.62
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate
CID 12706208
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
2,3,5-tris(4-chlorophenyl)-4-phenylthiophene
CID 139964410
6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate
CID 134911741
4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate
CID 86223340
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
2-(4-chlorophenyl)-13-phenyl-2-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene
CID 3491592
4-[4-(4-chlorophenyl)-2,5-diphenylphenyl]-N,N-diphenylaniline
CID 176611385
1-bromo-2-(4-chlorophenyl)-4-phenylbenzene
CID 166487719
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate?
The IUPAC name of 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate (CID 14687807) is 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate.
What is the SMILES notation for 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate?
The canonical SMILES for 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate is Clc1ccc(-c2[o+]c(-c3ccc(Cl)cc3)c(Cl)c(-c3ccccc3)c2Cl)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate?
The InChIKey is QGIKGNUVANBPHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H13Cl4O.ClHO4/c24-17-10-6-15(7-11-17)22-20(26)19(14-4-2-1-3-5-14)21(27)23(28-22)16-8-12-18(25)13-9-16;2-1(3,4)5/h1-13H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate?
3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate has a molecular weight of 546.62 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate is sourced from PubChem (CID 14687807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).