6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene

C16H12N2 — CID 67547862

IUPAC6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
SMILESCc1cc2ccc3nc(C)nc4ccc(c1)c2c34
InChIInChI=1S/C16H12N2/c1-9-7-11-3-5-13-16-14(18-10(2)17-13)6-4-12(8-9)15(11)16/h3-8H,1-2H3
InChIKeyYJWGUOSMJDCSQR-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.99
Rot. Bonds

About 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene

6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene (PubChem CID 67547862) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene.

Molecular Properties

Compound Name6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
PubChem CID67547862
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
SMILESCc1cc2ccc3nc(C)nc4ccc(c1)c2c34
InChIInChI=1S/C16H12N2/c1-9-7-11-3-5-13-16-14(18-10(2)17-13)6-4-12(8-9)15(11)16/h3-8H,1-2H3
InChIKeyYJWGUOSMJDCSQR-UHFFFAOYSA-N
XLogP3.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene?
The IUPAC name of 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene (CID 67547862) is 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene.
What is the SMILES notation for 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene?
The canonical SMILES for 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene is Cc1cc2ccc3nc(C)nc4ccc(c1)c2c34.
What is the InChIKey of 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene?
The InChIKey is YJWGUOSMJDCSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-9-7-11-3-5-13-16-14(18-10(2)17-13)6-4-12(8-9)15(11)16/h3-8H,1-2H3.
What are the key properties of 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene?
6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene has a molecular weight of 232.29 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethyl-5,7-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene is sourced from PubChem (CID 67547862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).