N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline

C33H34N2Si — CID 137328383

IUPACN-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline
SMILESCC(C)(C)N(c1ccccc1)[SiH](c1ccccc1)C1C=C(N2Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C33H34N2Si/c1-33(2,3)35(27-16-6-4-7-17-27)36(28-18-8-5-9-19-28)32-22-31(29-20-12-13-21-30(29)32)34-23-25-14-10-11-15-26(25)24-34/h4-22,32,36H,23-24H2,1-3H3
InChIKeyWPGDBAKAIDAYDN-UHFFFAOYSA-N
MW486.74 g/mol
LogP6.62
Rot. Bonds5

About N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline

N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline (PubChem CID 137328383) has the molecular formula C33H34N2Si and a molecular weight of 486.74 g/mol. Its IUPAC name is N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline.

Molecular Properties

Compound NameN-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline
PubChem CID137328383
Molecular FormulaC33H34N2Si
Molecular Weight486.74 g/mol
Exact Mass486.25
IUPAC NameN-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline
SMILESCC(C)(C)N(c1ccccc1)[SiH](c1ccccc1)C1C=C(N2Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C33H34N2Si/c1-33(2,3)35(27-16-6-4-7-17-27)36(28-18-8-5-9-19-28)32-22-31(29-20-12-13-21-30(29)32)34-23-25-14-10-11-15-26(25)24-34/h4-22,32,36H,23-24H2,1-3H3
InChIKeyWPGDBAKAIDAYDN-UHFFFAOYSA-N
XLogP6.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline?
The IUPAC name of N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline (CID 137328383) is N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline.
What is the SMILES notation for N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline?
The canonical SMILES for N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline is CC(C)(C)N(c1ccccc1)[SiH](c1ccccc1)C1C=C(N2Cc3ccccc3C2)c2ccccc21.
What is the InChIKey of N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline?
The InChIKey is WPGDBAKAIDAYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2Si/c1-33(2,3)35(27-16-6-4-7-17-27)36(28-18-8-5-9-19-28)32-22-31(29-20-12-13-21-30(29)32)34-23-25-14-10-11-15-26(25)24-34/h4-22,32,36H,23-24H2,1-3H3.
What are the key properties of N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline?
N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline has a molecular weight of 486.74 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[[3-(1,3-dihydroisoindol-2-yl)-1H-inden-1-yl]-phenylsilyl]aniline is sourced from PubChem (CID 137328383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).