(5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane

C49H37NSSi2 — CID 59221889

IUPAC(5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane
SMILESCc1ccc2c(c1)c1sc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn2c31
InChIInChI=1S/C49H37NSSi2/c1-36-32-33-44-43(34-36)48-47-46(49(51-48)53(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42)45(35-50(44)47)52(37-20-8-2-9-21-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39/h2-35H,1H3
InChIKeyABLDSFRQGQGSHE-UHFFFAOYSA-N
MW728.08 g/mol
LogP6.81
Rot. Bonds8

About (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane

(5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane (PubChem CID 59221889) has the molecular formula C49H37NSSi2 and a molecular weight of 728.08 g/mol. Its IUPAC name is (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane.

Molecular Properties

Compound Name(5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane
PubChem CID59221889
Molecular FormulaC49H37NSSi2
Molecular Weight728.08 g/mol
Exact Mass727.22
IUPAC Name(5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane
SMILESCc1ccc2c(c1)c1sc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn2c31
InChIInChI=1S/C49H37NSSi2/c1-36-32-33-44-43(34-36)48-47-46(49(51-48)53(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42)45(35-50(44)47)52(37-20-8-2-9-21-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39/h2-35H,1H3
InChIKeyABLDSFRQGQGSHE-UHFFFAOYSA-N
XLogP6.81
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.08
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane?
The IUPAC name of (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane (CID 59221889) is (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane.
What is the SMILES notation for (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane?
The canonical SMILES for (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane is Cc1ccc2c(c1)c1sc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c3c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cn2c31.
What is the InChIKey of (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane?
The InChIKey is ABLDSFRQGQGSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37NSSi2/c1-36-32-33-44-43(34-36)48-47-46(49(51-48)53(40-26-14-5-15-27-40,41-28-16-6-17-29-41)42-30-18-7-19-31-42)45(35-50(44)47)52(37-20-8-2-9-21-37,38-22-10-3-11-23-38)39-24-12-4-13-25-39/h2-35H,1H3.
What are the key properties of (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane?
(5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane has a molecular weight of 728.08 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-10-triphenylsilyl-9-thia-1-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2(7),3,5,8(14),10,12-hexaen-12-yl)-triphenylsilane is sourced from PubChem (CID 59221889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).