(6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde

C35H52F2N2OSi2 — CID 158647071

IUPAC(6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C=O)c(F)cc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(F)cc21
InChIInChI=1S/C18H26FNOSi.C17H26FNSi/c1-12(2)22(13(3)4,14(5)6)20-8-7-15-9-16(11-21)17(19)10-18(15)20;1-12(2)20(13(3)4,14(5)6)19-10-9-15-7-8-16(18)11-17(15)19/h7-14H,1-6H3;7-14H,1-6H3
InChIKeyIBCDUUAIFDPZEB-UHFFFAOYSA-N
MW610.98 g/mol
LogP11.42
Rot. Bonds9

About (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde

(6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde (PubChem CID 158647071) has the molecular formula C35H52F2N2OSi2 and a molecular weight of 610.98 g/mol. Its IUPAC name is (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde.

Molecular Properties

Compound Name(6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde
PubChem CID158647071
Molecular FormulaC35H52F2N2OSi2
Molecular Weight610.98 g/mol
Exact Mass610.36
IUPAC Name(6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C=O)c(F)cc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(F)cc21
InChIInChI=1S/C18H26FNOSi.C17H26FNSi/c1-12(2)22(13(3)4,14(5)6)20-8-7-15-9-16(11-21)17(19)10-18(15)20;1-12(2)20(13(3)4,14(5)6)19-10-9-15-7-8-16(18)11-17(15)19/h7-14H,1-6H3;7-14H,1-6H3
InChIKeyIBCDUUAIFDPZEB-UHFFFAOYSA-N
XLogP11.42
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.98
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde?
The IUPAC name of (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde (CID 158647071) is (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde.
What is the SMILES notation for (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde?
The canonical SMILES for (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde is CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C=O)c(F)cc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(F)cc21.
What is the InChIKey of (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde?
The InChIKey is IBCDUUAIFDPZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNOSi.C17H26FNSi/c1-12(2)22(13(3)4,14(5)6)20-8-7-15-9-16(11-21)17(19)10-18(15)20;1-12(2)20(13(3)4,14(5)6)19-10-9-15-7-8-16(18)11-17(15)19/h7-14H,1-6H3;7-14H,1-6H3.
What are the key properties of (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde?
(6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde has a molecular weight of 610.98 g/mol, XLogP of 11.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoroindol-1-yl)-tri(propan-2-yl)silane;6-fluoro-1-tri(propan-2-yl)silylindole-5-carbaldehyde is sourced from PubChem (CID 158647071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).