3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

C18H18N2 — CID 778625

IUPAC3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1c(-c2ccccc2)cn2c1-c1ccc(C)n1CC2
InChIInChI=1S/C18H18N2/c1-13-8-9-17-18-14(2)16(15-6-4-3-5-7-15)12-19(18)10-11-20(13)17/h3-9,12H,10-11H2,1-2H3
InChIKeyISNBBLZANARMLY-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.25
Rot. Bonds1

About 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene

3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (PubChem CID 778625) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.

Molecular Properties

Compound Name3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
PubChem CID778625
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
SMILESCc1c(-c2ccccc2)cn2c1-c1ccc(C)n1CC2
InChIInChI=1S/C18H18N2/c1-13-8-9-17-18-14(2)16(15-6-4-3-5-7-15)12-19(18)10-11-20(13)17/h3-9,12H,10-11H2,1-2H3
InChIKeyISNBBLZANARMLY-UHFFFAOYSA-N
XLogP4.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The IUPAC name of 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene (CID 778625) is 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene.
What is the SMILES notation for 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The canonical SMILES for 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is Cc1c(-c2ccccc2)cn2c1-c1ccc(C)n1CC2.
What is the InChIKey of 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
The InChIKey is ISNBBLZANARMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-8-9-17-18-14(2)16(15-6-4-3-5-7-15)12-19(18)10-11-20(13)17/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene?
3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene has a molecular weight of 262.36 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-4-phenyl-6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene is sourced from PubChem (CID 778625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).