2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium

C31H20NO3+ — CID 101269925

IUPAC2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc4ccccc4c3)[o+]c(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C31H20NO3/c33-32(34)29-15-13-23(14-16-29)28-19-30(26-11-9-21-5-1-3-7-24(21)17-26)35-31(20-28)27-12-10-22-6-2-4-8-25(22)18-27/h1-20H/q+1
InChIKeyVRWYPKIMIDZBSO-UHFFFAOYSA-N
MW454.51 g/mol
LogP8.78
Rot. Bonds4

About 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium

2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium (PubChem CID 101269925) has the molecular formula C31H20NO3+ and a molecular weight of 454.51 g/mol. Its IUPAC name is 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium.

Molecular Properties

Compound Name2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium
PubChem CID101269925
Molecular FormulaC31H20NO3+
Molecular Weight454.51 g/mol
Exact Mass454.14
IUPAC Name2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccc4ccccc4c3)[o+]c(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C31H20NO3/c33-32(34)29-15-13-23(14-16-29)28-19-30(26-11-9-21-5-1-3-7-24(21)17-26)35-31(20-28)27-12-10-22-6-2-4-8-25(22)18-27/h1-20H/q+1
InChIKeyVRWYPKIMIDZBSO-UHFFFAOYSA-N
XLogP8.78
TPSA54.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2,6-dinaphthalen-2-ylpyrylium-4-yl)phenyl]-2,6-dinaphthalen-2-ylpyrylium
CID 101141044
2-nitro-7-phenylanthracene
CID 54232737
2-(4-nitrophenyl)chromenylium perchlorate
CID 13045838
2,6-bis(4-methoxyphenyl)-4-(3-nitrophenyl)pyrylium
CID 134912639
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
naphthalen-2-ol;nitrobenzene
CID 163774452
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
CID 71623316
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium?
The IUPAC name of 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium (CID 101269925) is 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium.
What is the SMILES notation for 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium?
The canonical SMILES for 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium is O=[N+]([O-])c1ccc(-c2cc(-c3ccc4ccccc4c3)[o+]c(-c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium?
The InChIKey is VRWYPKIMIDZBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20NO3/c33-32(34)29-15-13-23(14-16-29)28-19-30(26-11-9-21-5-1-3-7-24(21)17-26)35-31(20-28)27-12-10-22-6-2-4-8-25(22)18-27/h1-20H/q+1.
What are the key properties of 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium?
2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium has a molecular weight of 454.51 g/mol, XLogP of 8.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium is sourced from PubChem (CID 101269925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).