[2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane

C29H34FNSSi — CID 58119424

IUPAC[2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](Sc1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2)(C(C)C)C(C)C
InChIInChI=1S/C29H34FNSSi/c1-19(2)33(20(3)4,21(5)6)32-25-15-16-28-24(17-25)18-29(31-28)23-13-11-22(12-14-23)26-9-7-8-10-27(26)30/h7-17,19-21H,18H2,1-6H3
InChIKeyMLCNJMRHLSZKMJ-UHFFFAOYSA-N
MW475.75 g/mol
LogP9.44
Rot. Bonds7

About [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane

[2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane (PubChem CID 58119424) has the molecular formula C29H34FNSSi and a molecular weight of 475.75 g/mol. Its IUPAC name is [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane
PubChem CID58119424
Molecular FormulaC29H34FNSSi
Molecular Weight475.75 g/mol
Exact Mass475.22
IUPAC Name[2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](Sc1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2)(C(C)C)C(C)C
InChIInChI=1S/C29H34FNSSi/c1-19(2)33(20(3)4,21(5)6)32-25-15-16-28-24(17-25)18-29(31-28)23-13-11-22(12-14-23)26-9-7-8-10-27(26)30/h7-17,19-21H,18H2,1-6H3
InChIKeyMLCNJMRHLSZKMJ-UHFFFAOYSA-N
XLogP9.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.75
LogP ≤ 59.44
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 [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane?
The IUPAC name of [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane (CID 58119424) is [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane.
What is the SMILES notation for [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane?
The canonical SMILES for [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane is CC(C)[Si](Sc1ccc2c(c1)CC(c1ccc(-c3ccccc3F)cc1)=N2)(C(C)C)C(C)C.
What is the InChIKey of [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane?
The InChIKey is MLCNJMRHLSZKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FNSSi/c1-19(2)33(20(3)4,21(5)6)32-25-15-16-28-24(17-25)18-29(31-28)23-13-11-22(12-14-23)26-9-7-8-10-27(26)30/h7-17,19-21H,18H2,1-6H3.
What are the key properties of [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane?
[2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane has a molecular weight of 475.75 g/mol, XLogP of 9.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-fluorophenyl)phenyl]-3H-indol-5-yl]sulfanyl-tri(propan-2-yl)silane is sourced from PubChem (CID 58119424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).