N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide

C25H22N2 — CID 3345579

IUPACN,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
SMILESCc1ccc(/N=C(\Nc2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H22N2/c1-18-10-14-21(15-11-18)26-25(27-22-16-12-19(2)13-17-22)24-9-5-7-20-6-3-4-8-23(20)24/h3-17H,1-2H3,(H,26,27)
InChIKeyLCKGQJOEHXQJOZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.65
Rot. Bonds3

About N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide

N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide (PubChem CID 3345579) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide.

Molecular Properties

Compound NameN,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
PubChem CID3345579
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC NameN,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
SMILESCc1ccc(/N=C(\Nc2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H22N2/c1-18-10-14-21(15-11-18)26-25(27-22-16-12-19(2)13-17-22)24-9-5-7-20-6-3-4-8-23(20)24/h3-17H,1-2H3,(H,26,27)
InChIKeyLCKGQJOEHXQJOZ-UHFFFAOYSA-N
XLogP6.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide?
The IUPAC name of N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide (CID 3345579) is N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide.
What is the SMILES notation for N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide?
The canonical SMILES for N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide is Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide?
The InChIKey is LCKGQJOEHXQJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-18-10-14-21(15-11-18)26-25(27-22-16-12-19(2)13-17-22)24-9-5-7-20-6-3-4-8-23(20)24/h3-17H,1-2H3,(H,26,27).
What are the key properties of N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide?
N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide has a molecular weight of 350.47 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide is sourced from PubChem (CID 3345579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).