[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride

C27H23Cl2N3 — CID 86659519

IUPAC[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]Cc1ccc(-c2nc3cc[nH+]c(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C27H21N3.2ClH/c28-18-19-11-13-22(14-12-19)27-23(20-7-3-1-4-8-20)17-24-25(30-27)15-16-29-26(24)21-9-5-2-6-10-21;;/h1-17H,18,28H2;2*1H
InChIKeyXKCDIUBRXNCBRC-UHFFFAOYSA-N
MW460.41 g/mol
LogP-1.20
Rot. Bonds4

About [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride

[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride (PubChem CID 86659519) has the molecular formula C27H23Cl2N3 and a molecular weight of 460.41 g/mol. Its IUPAC name is [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride.

Molecular Properties

Compound Name[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
PubChem CID86659519
Molecular FormulaC27H23Cl2N3
Molecular Weight460.41 g/mol
Exact Mass459.13
IUPAC Name[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]Cc1ccc(-c2nc3cc[nH+]c(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C27H21N3.2ClH/c28-18-19-11-13-22(14-12-19)27-23(20-7-3-1-4-8-20)17-24-25(30-27)15-16-29-26(24)21-9-5-2-6-10-21;;/h1-17H,18,28H2;2*1H
InChIKeyXKCDIUBRXNCBRC-UHFFFAOYSA-N
XLogP-1.20
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[5-(2-hydroxyethylamino)-3-phenyl-1,6-naphthyridin-6-ium-2-yl]phenyl]methylazanium dichloride
CID 87232721
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
[4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine
CID 123342200
[4-[3-phenyl-5-(2-pyridin-1-ium-4-ylethyl)-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524866
[4-(5-cyano-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524392
[4-(5-isoquinolin-2-ium-5-yl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylazanium
CID 58524677
[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524870
[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium chloride
CID 87232560
[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736
[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524501
[4-[3-phenyl-5-(2-pyridin-4-ylethoxy)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine
CID 123330866
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine
CID 123565191

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride?
The IUPAC name of [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride (CID 86659519) is [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride.
What is the SMILES notation for [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride?
The canonical SMILES for [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride is [Cl-].[Cl-].[NH3+]Cc1ccc(-c2nc3cc[nH+]c(-c4ccccc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride?
The InChIKey is XKCDIUBRXNCBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3.2ClH/c28-18-19-11-13-22(14-12-19)27-23(20-7-3-1-4-8-20)17-24-25(30-27)15-16-29-26(24)21-9-5-2-6-10-21;;/h1-17H,18,28H2;2*1H.
What are the key properties of [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride?
[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride has a molecular weight of 460.41 g/mol, XLogP of -1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride is sourced from PubChem (CID 86659519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).