N,2,6-triphenylpyrylium-4-carboxamide

C24H18NO2+ — CID 2751530

IUPACN,2,6-triphenylpyrylium-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1
InChIInChI=1S/C24H17NO2/c26-24(25-21-14-8-3-9-15-21)20-16-22(18-10-4-1-5-11-18)27-23(17-20)19-12-6-2-7-13-19/h1-17H/p+1
InChIKeyIINXKSAHBQRAPC-UHFFFAOYSA-O
MW352.41 g/mol
LogP6.15
Rot. Bonds4

About N,2,6-triphenylpyrylium-4-carboxamide

N,2,6-triphenylpyrylium-4-carboxamide (PubChem CID 2751530) has the molecular formula C24H18NO2+ and a molecular weight of 352.41 g/mol. Its IUPAC name is N,2,6-triphenylpyrylium-4-carboxamide.

Molecular Properties

Compound NameN,2,6-triphenylpyrylium-4-carboxamide
PubChem CID2751530
Molecular FormulaC24H18NO2+
Molecular Weight352.41 g/mol
Exact Mass352.13
IUPAC NameN,2,6-triphenylpyrylium-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1
InChIInChI=1S/C24H17NO2/c26-24(25-21-14-8-3-9-15-21)20-16-22(18-10-4-1-5-11-18)27-23(17-20)19-12-6-2-7-13-19/h1-17H/p+1
InChIKeyIINXKSAHBQRAPC-UHFFFAOYSA-O
XLogP6.15
TPSA40.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.41
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibenzamido-N-phenylbenzamide
CID 17340966
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
N,5-diphenylpyridine-3-carboxamide
CID 110683714
2,6-ditert-butyl-N-phenylpyrylium-4-carboxamide perchlorate
CID 2751521
3-amino-4,5-dichloro-N-phenylbenzamide
CID 61090142
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
5-(furan-2-yl)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 168527471
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339

Frequently Asked Questions

What is the IUPAC name of N,2,6-triphenylpyrylium-4-carboxamide?
The IUPAC name of N,2,6-triphenylpyrylium-4-carboxamide (CID 2751530) is N,2,6-triphenylpyrylium-4-carboxamide.
What is the SMILES notation for N,2,6-triphenylpyrylium-4-carboxamide?
The canonical SMILES for N,2,6-triphenylpyrylium-4-carboxamide is O=C(Nc1ccccc1)c1cc(-c2ccccc2)[o+]c(-c2ccccc2)c1.
What is the InChIKey of N,2,6-triphenylpyrylium-4-carboxamide?
The InChIKey is IINXKSAHBQRAPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H17NO2/c26-24(25-21-14-8-3-9-15-21)20-16-22(18-10-4-1-5-11-18)27-23(17-20)19-12-6-2-7-13-19/h1-17H/p+1.
What are the key properties of N,2,6-triphenylpyrylium-4-carboxamide?
N,2,6-triphenylpyrylium-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-triphenylpyrylium-4-carboxamide is sourced from PubChem (CID 2751530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).