2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline

C29H24N2 — CID 68553293

IUPAC2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline
SMILESCc1ccccc1NN=Cc1ccccc1C1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C29H24N2/c1-21-11-5-10-18-28(21)31-30-20-24-15-7-9-17-26(24)29-25-16-8-6-14-23(25)19-27(29)22-12-3-2-4-13-22/h2-20,29,31H,1H3
InChIKeyRXIXMZARZJFUIM-UHFFFAOYSA-N
MW400.53 g/mol
LogP7.13
Rot. Bonds5

About 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline

2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline (PubChem CID 68553293) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline
PubChem CID68553293
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Name2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline
SMILESCc1ccccc1NN=Cc1ccccc1C1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C29H24N2/c1-21-11-5-10-18-28(21)31-30-20-24-15-7-9-17-26(24)29-25-16-8-6-14-23(25)19-27(29)22-12-3-2-4-13-22/h2-20,29,31H,1H3
InChIKeyRXIXMZARZJFUIM-UHFFFAOYSA-N
XLogP7.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.13
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline?
The IUPAC name of 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline (CID 68553293) is 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline?
The canonical SMILES for 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline is Cc1ccccc1NN=Cc1ccccc1C1C(c2ccccc2)=Cc2ccccc21.
What is the InChIKey of 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline?
The InChIKey is RXIXMZARZJFUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2/c1-21-11-5-10-18-28(21)31-30-20-24-15-7-9-17-26(24)29-25-16-8-6-14-23(25)19-27(29)22-12-3-2-4-13-22/h2-20,29,31H,1H3.
What are the key properties of 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline?
2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline has a molecular weight of 400.53 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 68553293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).