N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine

C37H30ClN3 — CID 20650343

IUPACN-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine
SMILESClc1ccc(N(/N=C/c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C37H30ClN3/c38-33-20-24-35(25-21-33)41(37-17-9-15-32-14-7-8-16-36(32)37)39-26-29-18-22-34(23-19-29)40(27-30-10-3-1-4-11-30)28-31-12-5-2-6-13-31/h1-26H,27-28H2/b39-26+
InChIKeyQBSKFNUUFVQBMV-JBFMKSPFSA-N
MW552.12 g/mol
LogP9.87
Rot. Bonds9

About N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine

N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine (PubChem CID 20650343) has the molecular formula C37H30ClN3 and a molecular weight of 552.12 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine
PubChem CID20650343
Molecular FormulaC37H30ClN3
Molecular Weight552.12 g/mol
Exact Mass551.21
IUPAC NameN-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine
SMILESClc1ccc(N(/N=C/c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C37H30ClN3/c38-33-20-24-35(25-21-33)41(37-17-9-15-32-14-7-8-16-36(32)37)39-26-29-18-22-34(23-19-29)40(27-30-10-3-1-4-11-30)28-31-12-5-2-6-13-31/h1-26H,27-28H2/b39-26+
InChIKeyQBSKFNUUFVQBMV-JBFMKSPFSA-N
XLogP9.87
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.12
LogP ≤ 59.87
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'}

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Related Compounds

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
CID 87966041
N-[(4-ethenylphenyl)methylideneamino]-N-phenylnaphthalen-1-amine
CID 58803530
N-[(E)-[4-(ethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
CID 22964783
N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
CID 20650331
N,N-dibenzyl-3-chloro-4-[(diphenylhydrazinylidene)methyl]aniline
CID 54497636
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 70841410
N,N-dibenzyl-4-(2-phenylethenyl)aniline
CID 54154139
N-benzyl-4-chloro-N-prop-2-enylaniline
CID 11973984
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 142730115
N-[4-(4-chlorophenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 16755311
N,N-dibenzylaniline
CID 139071697
N-[[4-[benzyl(ethyl)amino]phenyl]methylidene]hydroxylamine
CID 2394003

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine?
The IUPAC name of N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine (CID 20650343) is N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine is Clc1ccc(N(/N=C/c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine?
The InChIKey is QBSKFNUUFVQBMV-JBFMKSPFSA-N. The full InChI is InChI=1S/C37H30ClN3/c38-33-20-24-35(25-21-33)41(37-17-9-15-32-14-7-8-16-36(32)37)39-26-29-18-22-34(23-19-29)40(27-30-10-3-1-4-11-30)28-31-12-5-2-6-13-31/h1-26H,27-28H2/b39-26+.
What are the key properties of N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine?
N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine has a molecular weight of 552.12 g/mol, XLogP of 9.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine is sourced from PubChem (CID 20650343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).