N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine

C30H24N2 — CID 102220740

IUPACN-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine
SMILESC/C(=N\c1c(C(c2ccccc2)c2ccccc2)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C30H24N2/c1-22(28-18-10-11-21-31-28)32-30-26-17-9-8-12-23(26)19-20-27(30)29(24-13-4-2-5-14-24)25-15-6-3-7-16-25/h2-21,29H,1H3/b32-22+
InChIKeyCALVSTYTUXURRW-WEMUVCOSSA-N
MW412.54 g/mol
LogP7.56
Rot. Bonds5

About N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine

N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine (PubChem CID 102220740) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine.

Molecular Properties

Compound NameN-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine
PubChem CID102220740
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC NameN-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine
SMILESC/C(=N\c1c(C(c2ccccc2)c2ccccc2)ccc2ccccc12)c1ccccn1
InChIInChI=1S/C30H24N2/c1-22(28-18-10-11-21-31-28)32-30-26-17-9-8-12-23(26)19-20-27(30)29(24-13-4-2-5-14-24)25-15-6-3-7-16-25/h2-21,29H,1H3/b32-22+
InChIKeyCALVSTYTUXURRW-WEMUVCOSSA-N
XLogP7.56
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dibromophenyl)-1-pyridin-2-ylethanimine
CID 141267824
N-(2,6-diethylphenyl)-1-pyridin-2-ylethanimine;nickel(2+)
CID 158562372
N-anthracen-9-yl-1-[6-(N-anthracen-9-yl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
CID 89292539
2-(1-pyridin-2-ylethylideneamino)benzenethiol
CID 135426936
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)
CID 10650522
dichloroiron;1-[6-[C-methyl-N-(2-methylnaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(2-methylnaphthalen-1-yl)ethanimine
CID 58667103
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
nickel(2+);phenanthrene-9,10-diolate;1-pyridin-2-yl-N-(2,4,6-trimethylphenyl)ethanimine
CID 161248104
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
(2S)-4-methyl-2-(1-pyridin-2-ylethylideneamino)pentanoic acid
CID 102026365
dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine
CID 153313891

Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine?
The IUPAC name of N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine (CID 102220740) is N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine.
What is the SMILES notation for N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine?
The canonical SMILES for N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine is C/C(=N\c1c(C(c2ccccc2)c2ccccc2)ccc2ccccc12)c1ccccn1.
What is the InChIKey of N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine?
The InChIKey is CALVSTYTUXURRW-WEMUVCOSSA-N. The full InChI is InChI=1S/C30H24N2/c1-22(28-18-10-11-21-31-28)32-30-26-17-9-8-12-23(26)19-20-27(30)29(24-13-4-2-5-14-24)25-15-6-3-7-16-25/h2-21,29H,1H3/b32-22+.
What are the key properties of N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine?
N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine has a molecular weight of 412.54 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydrylnaphthalen-1-yl)-1-pyridin-2-ylethanimine is sourced from PubChem (CID 102220740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).