N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine

C37H30FN3 — CID 54065525

IUPACN-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine
SMILESFc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1C=NN(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C37H30FN3/c38-37-25-35(40(27-29-12-4-1-5-13-29)28-30-14-6-2-7-15-30)22-21-33(37)26-39-41(34-18-8-3-9-19-34)36-23-20-31-16-10-11-17-32(31)24-36/h1-26H,27-28H2
InChIKeyMCQZULOFUSMROZ-UHFFFAOYSA-N
MW535.67 g/mol
LogP9.36
Rot. Bonds9

About N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine

N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine (PubChem CID 54065525) has the molecular formula C37H30FN3 and a molecular weight of 535.67 g/mol. Its IUPAC name is N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine
PubChem CID54065525
Molecular FormulaC37H30FN3
Molecular Weight535.67 g/mol
Exact Mass535.24
IUPAC NameN-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine
SMILESFc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1C=NN(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C37H30FN3/c38-37-25-35(40(27-29-12-4-1-5-13-29)28-30-14-6-2-7-15-30)22-21-33(37)26-39-41(34-18-8-3-9-19-34)36-23-20-31-16-10-11-17-32(31)24-36/h1-26H,27-28H2
InChIKeyMCQZULOFUSMROZ-UHFFFAOYSA-N
XLogP9.36
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.67
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine 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,N-Dimethyl-alpha-(1-naphthylimino)-para-toluidine
CID 623702
5-(4-Fluorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
CID 71524916
Benzaldehyde, 4-(bis(phenylmethyl)amino)-2-methyl-, 2,2-diphenylhydrazone
CID 6437788
4-Bis(4-methylphenyl)aminobenzaldehyde-1,1-diphenyl-hydrazone
CID 20431411
5-(4-Fluorophenyl)-1-(4-methylphenyl)-3-(2-naphthyl)-4,5-dihydro-1h-pyrazole
CID 134613023
4-(Dibenzylamino)benzaldehyde-N,N-diphenylhydrazone
CID 9646955
1,1-Dibenzyl-2,4-diphenyl-1,2-dihydrophthalazine
CID 12332433
4-(diphenylamino)benzaldehyde N-methyl-N-phenylhydrazone
CID 53842047
4-N,N-Bis(4-methylphenyl)-amino-benzaldehyde-N,N-diphenylhydrazone
CID 4099876
4-[(E)-(Diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline
CID 9576640
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
CID 13627424
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-2-amine
CID 13628005

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine (CID 54065525) is N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine is Fc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1C=NN(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine?
The InChIKey is MCQZULOFUSMROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30FN3/c38-37-25-35(40(27-29-12-4-1-5-13-29)28-30-14-6-2-7-15-30)22-21-33(37)26-39-41(34-18-8-3-9-19-34)36-23-20-31-16-10-11-17-32(31)24-36/h1-26H,27-28H2.
What are the key properties of N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine?
N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine has a molecular weight of 535.67 g/mol, XLogP of 9.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dibenzylamino)-2-fluorophenyl]methylideneamino]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 54065525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).