3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene

C23H15N — CID 175097557

IUPAC3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
SMILESc1ccc2c(c1)-c1ccccc1-2.c1ccc2c(c1)-c1cccnc1-2
InChIInChI=1S/C12H8.C11H7N/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2-5-9-8(4-1)10-6-3-7-12-11(9)10/h1-8H;1-7H
InChIKeyOULPJWFGHJLLTR-UHFFFAOYSA-N
MW305.38 g/mol
LogP6.06
Rot. Bonds

About 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene

3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene (PubChem CID 175097557) has the molecular formula C23H15N and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene.

Molecular Properties

Compound Name3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
PubChem CID175097557
Molecular FormulaC23H15N
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
SMILESc1ccc2c(c1)-c1ccccc1-2.c1ccc2c(c1)-c1cccnc1-2
InChIInChI=1S/C12H8.C11H7N/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2-5-9-8(4-1)10-6-3-7-12-11(9)10/h1-8H;1-7H
InChIKeyOULPJWFGHJLLTR-UHFFFAOYSA-N
XLogP6.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene?
The IUPAC name of 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene (CID 175097557) is 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene.
What is the SMILES notation for 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene?
The canonical SMILES for 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene is c1ccc2c(c1)-c1ccccc1-2.c1ccc2c(c1)-c1cccnc1-2.
What is the InChIKey of 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene?
The InChIKey is OULPJWFGHJLLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C11H7N/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2-5-9-8(4-1)10-6-3-7-12-11(9)10/h1-8H;1-7H.
What are the key properties of 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene?
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene has a molecular weight of 305.38 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene is sourced from PubChem (CID 175097557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).