N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide

C40H29N3 — CID 143316965

IUPACN-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nc1ccccc1)c1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C40H29N3/c41-39(32-24-20-30(21-25-32)37-18-8-12-28-10-4-6-16-35(28)37)43-40(42-34-14-2-1-3-15-34)33-26-22-31(23-27-33)38-19-9-13-29-11-5-7-17-36(29)38/h1-27H,(H2,41,42,43)
InChIKeyGORZIWRTJOQAJL-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.21
Rot. Bonds5

About N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide

N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide (PubChem CID 143316965) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide
PubChem CID143316965
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC NameN-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide
SMILES[H]/N=C(/N=C(/Nc1ccccc1)c1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C40H29N3/c41-39(32-24-20-30(21-25-32)37-18-8-12-28-10-4-6-16-35(28)37)43-40(42-34-14-2-1-3-15-34)33-26-22-31(23-27-33)38-19-9-13-29-11-5-7-17-36(29)38/h1-27H,(H2,41,42,43)
InChIKeyGORZIWRTJOQAJL-UHFFFAOYSA-N
XLogP10.21
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.21
H-Bond Donors ≤ 52
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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Related Compounds

1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
N'-(benzenecarboximidoyl)-N-benzyl-4-(2-triphenylen-2-ylnaphthalen-1-yl)benzenecarboximidamide
CID 174289167
4-naphthalen-1-ylbenzoic acid
CID 2760151
N-[(E)-1-[3-dibenzothiophen-1-yl-5-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylprop-2-enylidene]benzenecarboximidamide
CID 171583410
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine
CID 144816380
N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide
CID 142469905
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
4-naphthalen-1-yl-N-[(4-naphthalen-1-ylanilino)oxy-phenylboranyl]oxyaniline
CID 87470103
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
N-[(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-ylamino)-[3-[3-[4-[N-[(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-ylamino)-phenylmethylidene]carbamimidoyl]phenyl]phenyl]phenyl]methylidene]naphthalene-2-carboximidamide
CID 129229532

Frequently Asked Questions

What is the IUPAC name of N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide?
The IUPAC name of N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide (CID 143316965) is N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide.
What is the SMILES notation for N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide?
The canonical SMILES for N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide is [H]/N=C(/N=C(/Nc1ccccc1)c1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide?
The InChIKey is GORZIWRTJOQAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c41-39(32-24-20-30(21-25-32)37-18-8-12-28-10-4-6-16-35(28)37)43-40(42-34-14-2-1-3-15-34)33-26-22-31(23-27-33)38-19-9-13-29-11-5-7-17-36(29)38/h1-27H,(H2,41,42,43).
What are the key properties of N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide?
N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide has a molecular weight of 551.69 g/mol, XLogP of 10.21, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide is sourced from PubChem (CID 143316965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).