5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane

C24H28N2 — CID 12501982

IUPAC5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane
SMILESCN1CC2C3CN(C)C4CC3(c3ccccc3)C1CC24c1ccccc1
InChIInChI=1S/C24H28N2/c1-25-15-19-20-16-26(2)22-14-23(20,17-9-5-3-6-10-17)21(25)13-24(19,22)18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3
InChIKeyMOVATLADGXREHD-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.53
Rot. Bonds2

About 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane

5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane (PubChem CID 12501982) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane.

Molecular Properties

Compound Name5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane
PubChem CID12501982
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane
SMILESCN1CC2C3CN(C)C4CC3(c3ccccc3)C1CC24c1ccccc1
InChIInChI=1S/C24H28N2/c1-25-15-19-20-16-26(2)22-14-23(20,17-9-5-3-6-10-17)21(25)13-24(19,22)18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3
InChIKeyMOVATLADGXREHD-UHFFFAOYSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane?
The IUPAC name of 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane (CID 12501982) is 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane.
What is the SMILES notation for 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane?
The canonical SMILES for 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane is CN1CC2C3CN(C)C4CC3(c3ccccc3)C1CC24c1ccccc1.
What is the InChIKey of 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane?
The InChIKey is MOVATLADGXREHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-25-15-19-20-16-26(2)22-14-23(20,17-9-5-3-6-10-17)21(25)13-24(19,22)18-11-7-4-8-12-18/h3-12,19-22H,13-16H2,1-2H3.
What are the key properties of 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane?
5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane has a molecular weight of 344.50 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-2,9-diphenyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecane is sourced from PubChem (CID 12501982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).