N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine

C27H22N2 — CID 23015730

IUPACN-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine
SMILESCC1=Cc2ccccc2C1c1ccccc1/C=N/Nc1ccc2ccccc2c1
InChIInChI=1S/C27H22N2/c1-19-16-22-10-4-6-12-25(22)27(19)26-13-7-5-11-23(26)18-28-29-24-15-14-20-8-2-3-9-21(20)17-24/h2-18,27,29H,1H3/b28-18+
InChIKeyGPQXRBLPPDQMKO-MTDXEUNCSA-N
MW374.49 g/mol
LogP6.83
Rot. Bonds4

About N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine

N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine (PubChem CID 23015730) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine
PubChem CID23015730
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC NameN-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine
SMILESCC1=Cc2ccccc2C1c1ccccc1/C=N/Nc1ccc2ccccc2c1
InChIInChI=1S/C27H22N2/c1-19-16-22-10-4-6-12-25(22)27(19)26-13-7-5-11-23(26)18-28-29-24-15-14-20-8-2-3-9-21(20)17-24/h2-18,27,29H,1H3/b28-18+
InChIKeyGPQXRBLPPDQMKO-MTDXEUNCSA-N
XLogP6.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
The IUPAC name of N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine (CID 23015730) is N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine.
What is the SMILES notation for N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
The canonical SMILES for N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine is CC1=Cc2ccccc2C1c1ccccc1/C=N/Nc1ccc2ccccc2c1.
What is the InChIKey of N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
The InChIKey is GPQXRBLPPDQMKO-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H22N2/c1-19-16-22-10-4-6-12-25(22)27(19)26-13-7-5-11-23(26)18-28-29-24-15-14-20-8-2-3-9-21(20)17-24/h2-18,27,29H,1H3/b28-18+.
What are the key properties of N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine?
N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine has a molecular weight of 374.49 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-methyl-1H-inden-1-yl)phenyl]methylideneamino]naphthalen-2-amine is sourced from PubChem (CID 23015730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).