[5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane

C31H37NOSi — CID 101453372

IUPAC[5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane
SMILESC#C[C@@H](c1cccc2ccccc12)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccc(OC)cc12
InChIInChI=1S/C31H37NOSi/c1-9-26(28-16-12-14-24-13-10-11-15-27(24)28)30-20-32(31-18-17-25(33-8)19-29(30)31)34(21(2)3,22(4)5)23(6)7/h1,10-23,26H,2-8H3/t26-/m0/s1
InChIKeyPDFINRAMQFRTMW-SANMLTNESA-N
MW467.73 g/mol
LogP8.59
Rot. Bonds7

About [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane

[5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane (PubChem CID 101453372) has the molecular formula C31H37NOSi and a molecular weight of 467.73 g/mol. Its IUPAC name is [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane
PubChem CID101453372
Molecular FormulaC31H37NOSi
Molecular Weight467.73 g/mol
Exact Mass467.26
IUPAC Name[5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane
SMILESC#C[C@@H](c1cccc2ccccc12)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccc(OC)cc12
InChIInChI=1S/C31H37NOSi/c1-9-26(28-16-12-14-24-13-10-11-15-27(24)28)30-20-32(31-18-17-25(33-8)19-29(30)31)34(21(2)3,22(4)5)23(6)7/h1,10-23,26H,2-8H3/t26-/m0/s1
InChIKeyPDFINRAMQFRTMW-SANMLTNESA-N
XLogP8.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.73
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate
CID 134906719
2-methyl-5-(1-naphthalen-1-ylprop-2-ynyl)furan
CID 101206946
(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine
CID 105141322
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
(1R)-N-[[1-ethyl-3-(3-methoxyphenyl)indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 58803173
trimethoxy(1-naphthalen-1-ylethyl)silane
CID 90121509
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043
1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol
CID 127028202
(3-methoxyphenyl)methyl-(1-naphthalen-1-ylethyl)azanium
CID 163635484

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane (CID 101453372) is [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane is C#C[C@@H](c1cccc2ccccc12)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccc(OC)cc12.
What is the InChIKey of [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane?
The InChIKey is PDFINRAMQFRTMW-SANMLTNESA-N. The full InChI is InChI=1S/C31H37NOSi/c1-9-26(28-16-12-14-24-13-10-11-15-27(24)28)30-20-32(31-18-17-25(33-8)19-29(30)31)34(21(2)3,22(4)5)23(6)7/h1,10-23,26H,2-8H3/t26-/m0/s1.
What are the key properties of [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane?
[5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane has a molecular weight of 467.73 g/mol, XLogP of 8.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-3-[(1S)-1-naphthalen-1-ylprop-2-ynyl]indol-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101453372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).