N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine

C21H16N2 — CID 50855490

IUPACN-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine
SMILESC(=N/c1ccc2ccccc2c1)\c1ccn(-c2ccccc2)c1
InChIInChI=1S/C21H16N2/c1-2-8-21(9-3-1)23-13-12-17(16-23)15-22-20-11-10-18-6-4-5-7-19(18)14-20/h1-16H/b22-15+
InChIKeyKBOFSJAWOOQAPK-PXLXIMEGSA-N
MW296.37 g/mol
LogP5.38
Rot. Bonds3

About N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine

N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine (PubChem CID 50855490) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine
PubChem CID50855490
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC NameN-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine
SMILESC(=N/c1ccc2ccccc2c1)\c1ccn(-c2ccccc2)c1
InChIInChI=1S/C21H16N2/c1-2-8-21(9-3-1)23-13-12-17(16-23)15-22-20-11-10-18-6-4-5-7-19(18)14-20/h1-16H/b22-15+
InChIKeyKBOFSJAWOOQAPK-PXLXIMEGSA-N
XLogP5.38
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50855402
N-(3-fluorophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854962
N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854805
N-(4-chloro-3-nitrophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854768
N-(4-methoxyphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855511
4-(naphthalen-2-yliminomethyl)-N,N-bis[4-(naphthalen-2-yliminomethyl)phenyl]aniline
CID 102053185
N-(4-iodo-3-methylphenyl)-1-[1-(4-methoxyphenyl)pyrrol-3-yl]methanimine
CID 50855266
4-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-N,N-dimethylaniline
CID 50855638
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826
4-(naphthalen-2-ylmethylideneamino)benzoic acid
CID 71359398
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
CID 126145909
1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
CID 13497417

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine?
The IUPAC name of N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine (CID 50855490) is N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine?
The canonical SMILES for N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine is C(=N/c1ccc2ccccc2c1)\c1ccn(-c2ccccc2)c1.
What is the InChIKey of N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine?
The InChIKey is KBOFSJAWOOQAPK-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H16N2/c1-2-8-21(9-3-1)23-13-12-17(16-23)15-22-20-11-10-18-6-4-5-7-19(18)14-20/h1-16H/b22-15+.
What are the key properties of N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine?
N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine has a molecular weight of 296.37 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1-(1-phenylpyrrol-3-yl)methanimine is sourced from PubChem (CID 50855490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).