7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane

C22H26N2 — CID 159849870

IUPAC7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane
SMILESc1ccc(C2(c3ccccc3)CN3CCCC34CCCN4C2)cc1
InChIInChI=1S/C22H26N2/c1-3-9-19(10-4-1)21(20-11-5-2-6-12-20)17-23-15-7-13-22(23)14-8-16-24(22)18-21/h1-6,9-12H,7-8,13-18H2
InChIKeyRNJRTGULYJUHKG-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.87
Rot. Bonds2

About 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane

7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane (PubChem CID 159849870) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane.

Molecular Properties

Compound Name7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane
PubChem CID159849870
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane
SMILESc1ccc(C2(c3ccccc3)CN3CCCC34CCCN4C2)cc1
InChIInChI=1S/C22H26N2/c1-3-9-19(10-4-1)21(20-11-5-2-6-12-20)17-23-15-7-13-22(23)14-8-16-24(22)18-21/h1-6,9-12H,7-8,13-18H2
InChIKeyRNJRTGULYJUHKG-UHFFFAOYSA-N
XLogP3.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91580542

Frequently Asked Questions

What is the IUPAC name of 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane?
The IUPAC name of 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane (CID 159849870) is 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane.
What is the SMILES notation for 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane?
The canonical SMILES for 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane is c1ccc(C2(c3ccccc3)CN3CCCC34CCCN4C2)cc1.
What is the InChIKey of 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane?
The InChIKey is RNJRTGULYJUHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-3-9-19(10-4-1)21(20-11-5-2-6-12-20)17-23-15-7-13-22(23)14-8-16-24(22)18-21/h1-6,9-12H,7-8,13-18H2.
What are the key properties of 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane?
7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane has a molecular weight of 318.46 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diphenyl-5,9-diazatricyclo[7.3.0.01,5]dodecane is sourced from PubChem (CID 159849870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).