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

C26H21N — CID 23015745

IUPACN-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline
SMILESC1=CC(c2ccc3ccccc3c2CNc2ccccc2)c2ccccc21
InChIInChI=1S/C26H21N/c1-2-10-21(11-3-1)27-18-26-23-13-7-5-9-20(23)15-17-25(26)24-16-14-19-8-4-6-12-22(19)24/h1-17,24,27H,18H2
InChIKeyBZQBHMRUGFNZCL-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.61
Rot. Bonds4

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

N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline (PubChem CID 23015745) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline
PubChem CID23015745
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC NameN-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline
SMILESC1=CC(c2ccc3ccccc3c2CNc2ccccc2)c2ccccc21
InChIInChI=1S/C26H21N/c1-2-10-21(11-3-1)27-18-26-23-13-7-5-9-20(23)15-17-25(26)24-16-14-19-8-4-6-12-22(19)24/h1-17,24,27H,18H2
InChIKeyBZQBHMRUGFNZCL-UHFFFAOYSA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline?
The IUPAC name of N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline (CID 23015745) is N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline.
What is the SMILES notation for N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline?
The canonical SMILES for N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline is C1=CC(c2ccc3ccccc3c2CNc2ccccc2)c2ccccc21.
What is the InChIKey of N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline?
The InChIKey is BZQBHMRUGFNZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N/c1-2-10-21(11-3-1)27-18-26-23-13-7-5-9-20(23)15-17-25(26)24-16-14-19-8-4-6-12-22(19)24/h1-17,24,27H,18H2.
What are the key properties of N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline?
N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline has a molecular weight of 347.46 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline is sourced from PubChem (CID 23015745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).