3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene

C18H10N2 — CID 12028636

IUPAC3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene
SMILESc1cc2ccnc3c4nccc5cccc(c(c1)c23)c54
InChIInChI=1S/C18H10N2/c1-3-11-7-9-19-17-15(11)13(5-1)14-6-2-4-12-8-10-20-18(17)16(12)14/h1-10H
InChIKeyZCZUREINUPMEAS-UHFFFAOYSA-N
MW254.29 g/mol
LogP4.53
Rot. Bonds

About 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene

3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene (PubChem CID 12028636) has the molecular formula C18H10N2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene.

Molecular Properties

Compound Name3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene
PubChem CID12028636
Molecular FormulaC18H10N2
Molecular Weight254.29 g/mol
Exact Mass254.08
IUPAC Name3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene
SMILESc1cc2ccnc3c4nccc5cccc(c(c1)c23)c54
InChIInChI=1S/C18H10N2/c1-3-11-7-9-19-17-15(11)13(5-1)14-6-2-4-12-8-10-20-18(17)16(12)14/h1-10H
InChIKeyZCZUREINUPMEAS-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene?
The IUPAC name of 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene (CID 12028636) is 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene.
What is the SMILES notation for 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene?
The canonical SMILES for 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene is c1cc2ccnc3c4nccc5cccc(c(c1)c23)c54.
What is the InChIKey of 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene?
The InChIKey is ZCZUREINUPMEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2/c1-3-11-7-9-19-17-15(11)13(5-1)14-6-2-4-12-8-10-20-18(17)16(12)14/h1-10H.
What are the key properties of 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene?
3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene has a molecular weight of 254.29 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,18-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6(20),7,9,11,13,15(19),16-decaene is sourced from PubChem (CID 12028636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).