3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane

C38H36N4Si2 — CID 4152947

IUPAC3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane
SMILESC[Si]1(c2ccccc2)N(c2ccccc2)N(c2ccccc2)[Si](C)(c2ccccc2)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C38H36N4Si2/c1-43(37-29-17-7-18-30-37)39(33-21-9-3-10-22-33)41(35-25-13-5-14-26-35)44(2,38-31-19-8-20-32-38)42(36-27-15-6-16-28-36)40(43)34-23-11-4-12-24-34/h3-32H,1-2H3
InChIKeyNDQPWFARELMLLC-UHFFFAOYSA-N
MW604.91 g/mol
LogP7.81
Rot. Bonds6

About 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane

3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane (PubChem CID 4152947) has the molecular formula C38H36N4Si2 and a molecular weight of 604.91 g/mol. Its IUPAC name is 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane.

Molecular Properties

Compound Name3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane
PubChem CID4152947
Molecular FormulaC38H36N4Si2
Molecular Weight604.91 g/mol
Exact Mass604.25
IUPAC Name3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane
SMILESC[Si]1(c2ccccc2)N(c2ccccc2)N(c2ccccc2)[Si](C)(c2ccccc2)N(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C38H36N4Si2/c1-43(37-29-17-7-18-30-37)39(33-21-9-3-10-22-33)41(35-25-13-5-14-26-35)44(2,38-31-19-8-20-32-38)42(36-27-15-6-16-28-36)40(43)34-23-11-4-12-24-34/h3-32H,1-2H3
InChIKeyNDQPWFARELMLLC-UHFFFAOYSA-N
XLogP7.81
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.91
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane?
The IUPAC name of 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane (CID 4152947) is 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane.
What is the SMILES notation for 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane?
The canonical SMILES for 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane is C[Si]1(c2ccccc2)N(c2ccccc2)N(c2ccccc2)[Si](C)(c2ccccc2)N(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane?
The InChIKey is NDQPWFARELMLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N4Si2/c1-43(37-29-17-7-18-30-37)39(33-21-9-3-10-22-33)41(35-25-13-5-14-26-35)44(2,38-31-19-8-20-32-38)42(36-27-15-6-16-28-36)40(43)34-23-11-4-12-24-34/h3-32H,1-2H3.
What are the key properties of 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane?
3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane has a molecular weight of 604.91 g/mol, XLogP of 7.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,2,3,4,5,6-hexakis-phenyl-1,2,4,5,3,6-tetrazadisilinane is sourced from PubChem (CID 4152947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).