8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol

C16H10N2O — CID 137183911

IUPAC8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol
SMILESOc1c2ccccc2c2c3c(cccc13)C=CN=N2
InChIInChI=1S/C16H10N2O/c19-16-12-6-2-1-5-11(12)15-14-10(8-9-17-18-15)4-3-7-13(14)16/h1-9,19H
InChIKeyHWCRJNIJUZIJIJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.77
Rot. Bonds

About 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol

8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol (PubChem CID 137183911) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol.

Molecular Properties

Compound Name8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol
PubChem CID137183911
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol
SMILESOc1c2ccccc2c2c3c(cccc13)C=CN=N2
InChIInChI=1S/C16H10N2O/c19-16-12-6-2-1-5-11(12)15-14-10(8-9-17-18-15)4-3-7-13(14)16/h1-9,19H
InChIKeyHWCRJNIJUZIJIJ-UHFFFAOYSA-N
XLogP4.77
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol with MolForge

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Related Compounds

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CID 87325787
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CID 82254150

Frequently Asked Questions

What is the IUPAC name of 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol?
The IUPAC name of 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol (CID 137183911) is 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol.
What is the SMILES notation for 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol?
The canonical SMILES for 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol is Oc1c2ccccc2c2c3c(cccc13)C=CN=N2.
What is the InChIKey of 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol?
The InChIKey is HWCRJNIJUZIJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c19-16-12-6-2-1-5-11(12)15-14-10(8-9-17-18-15)4-3-7-13(14)16/h1-9,19H.
What are the key properties of 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol?
8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol has a molecular weight of 246.27 g/mol, XLogP of 4.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),2,4,6,8,10(18),11,13,15-nonaen-17-ol is sourced from PubChem (CID 137183911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).