[3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine

C29H31NSi — CID 174684972

IUPAC[3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine
SMILESCC1=CC([Si](C)(C)C2C(C)=Cc3cccc(-c4cccc(CN)c4)c32)c2ccccc21
InChIInChI=1S/C29H31NSi/c1-19-16-27(26-13-6-5-12-24(19)26)31(3,4)29-20(2)15-23-11-8-14-25(28(23)29)22-10-7-9-21(17-22)18-30/h5-17,27,29H,18,30H2,1-4H3
InChIKeyMUYYREPPWLECIK-UHFFFAOYSA-N
MW421.66 g/mol
LogP7.30
Rot. Bonds4

About [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine

[3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine (PubChem CID 174684972) has the molecular formula C29H31NSi and a molecular weight of 421.66 g/mol. Its IUPAC name is [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine
PubChem CID174684972
Molecular FormulaC29H31NSi
Molecular Weight421.66 g/mol
Exact Mass421.22
IUPAC Name[3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine
SMILESCC1=CC([Si](C)(C)C2C(C)=Cc3cccc(-c4cccc(CN)c4)c32)c2ccccc21
InChIInChI=1S/C29H31NSi/c1-19-16-27(26-13-6-5-12-24(19)26)31(3,4)29-20(2)15-23-11-8-14-25(28(23)29)22-10-7-9-21(17-22)18-30/h5-17,27,29H,18,30H2,1-4H3
InChIKeyMUYYREPPWLECIK-UHFFFAOYSA-N
XLogP7.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.66
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine?
The IUPAC name of [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine (CID 174684972) is [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine.
What is the SMILES notation for [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine?
The canonical SMILES for [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine is CC1=CC([Si](C)(C)C2C(C)=Cc3cccc(-c4cccc(CN)c4)c32)c2ccccc21.
What is the InChIKey of [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine?
The InChIKey is MUYYREPPWLECIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NSi/c1-19-16-27(26-13-6-5-12-24(19)26)31(3,4)29-20(2)15-23-11-8-14-25(28(23)29)22-10-7-9-21(17-22)18-30/h5-17,27,29H,18,30H2,1-4H3.
What are the key properties of [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine?
[3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine has a molecular weight of 421.66 g/mol, XLogP of 7.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[dimethyl-(3-methyl-1H-inden-1-yl)silyl]-2-methyl-3H-inden-4-yl]phenyl]methanamine is sourced from PubChem (CID 174684972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).