4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium

C56H36O2+2 — CID 101141044

IUPAC4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium
SMILESc1ccc2cc(-c3cc(-c4ccc(-c5cc(-c6ccc7ccccc7c6)[o+]c(-c6ccc7ccccc7c6)c5)cc4)cc(-c4ccc5ccccc5c4)[o+]3)ccc2c1
InChIInChI=1S/C56H36O2/c1-5-13-43-29-47(25-21-37(43)9-1)53-33-51(34-54(57-53)48-26-22-38-10-2-6-14-44(38)30-48)41-17-19-42(20-18-41)52-35-55(49-27-23-39-11-3-7-15-45(39)31-49)58-56(36-52)50-28-24-40-12-4-8-16-46(40)32-50/h1-36H/q+2
InChIKeyXLCRYZMOVJXTID-UHFFFAOYSA-N
MW740.90 g/mol
LogP16.05
Rot. Bonds6

About 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium

4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium (PubChem CID 101141044) has the molecular formula C56H36O2+2 and a molecular weight of 740.90 g/mol. Its IUPAC name is 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium.

Molecular Properties

Compound Name4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium
PubChem CID101141044
Molecular FormulaC56H36O2+2
Molecular Weight740.90 g/mol
Exact Mass740.27
IUPAC Name4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium
SMILESc1ccc2cc(-c3cc(-c4ccc(-c5cc(-c6ccc7ccccc7c6)[o+]c(-c6ccc7ccccc7c6)c5)cc4)cc(-c4ccc5ccccc5c4)[o+]3)ccc2c1
InChIInChI=1S/C56H36O2/c1-5-13-43-29-47(25-21-37(43)9-1)53-33-51(34-54(57-53)48-26-22-38-10-2-6-14-44(38)30-48)41-17-19-42(20-18-41)52-35-55(49-27-23-39-11-3-7-15-45(39)31-49)58-56(36-52)50-28-24-40-12-4-8-16-46(40)32-50/h1-36H/q+2
InChIKeyXLCRYZMOVJXTID-UHFFFAOYSA-N
XLogP16.05
TPSA22.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.90
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium
CID 101269925
benzo[f]azulene
CID 13065869
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline
CID 100927234
2,4,6-tris(4-methylphenyl)pyrylium
CID 3723959
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium?
The IUPAC name of 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium (CID 101141044) is 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium.
What is the SMILES notation for 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium?
The canonical SMILES for 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium is c1ccc2cc(-c3cc(-c4ccc(-c5cc(-c6ccc7ccccc7c6)[o+]c(-c6ccc7ccccc7c6)c5)cc4)cc(-c4ccc5ccccc5c4)[o+]3)ccc2c1.
What is the InChIKey of 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium?
The InChIKey is XLCRYZMOVJXTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36O2/c1-5-13-43-29-47(25-21-37(43)9-1)53-33-51(34-54(57-53)48-26-22-38-10-2-6-14-44(38)30-48)41-17-19-42(20-18-41)52-35-55(49-27-23-39-11-3-7-15-45(39)31-49)58-56(36-52)50-28-24-40-12-4-8-16-46(40)32-50/h1-36H/q+2.
What are the key properties of 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium?
4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium has a molecular weight of 740.90 g/mol, XLogP of 16.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium is sourced from PubChem (CID 101141044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).