15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C34H23N3O — CID 122469389

About 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (PubChem CID 122469389) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• PubChem CID: 122469389
• Molecular Formula: C34H23N3O
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.18
• IUPAC Name: 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• SMILES: CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4cccnc4)c4ccccc24)ccc1O3
• InChI: InChI=1S/C34H23N3O/c1-2-31-36-27-14-7-15-30-34(27)37(31)28-19-21(16-17-29(28)38-30)32-23-10-3-5-12-25(23)33(22-9-8-18-35-20-22)26-13-6-4-11-24(26)32/h3-20H,2H2,1H3
• InChIKey: YIJBJVHPRIHJJH-UHFFFAOYSA-N
• XLogP: 8.73
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The IUPAC name of 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 122469389) is 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

What is the SMILES notation for 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The canonical SMILES for 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is CCc1nc2cccc3c2n1-c1cc(-c2c4ccccc4c(-c4cccnc4)c4ccccc24)ccc1O3.

What is the InChIKey of 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The InChIKey is YIJBJVHPRIHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-2-31-36-27-14-7-15-30-34(27)37(31)28-19-21(16-17-29(28)38-30)32-23-10-3-5-12-25(23)33(22-9-8-18-35-20-22)26-13-6-4-11-24(26)32/h3-20H,2H2,1H3.

What are the key properties of 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene has a molecular weight of 489.58 g/mol, XLogP of 8.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is sourced from PubChem (CID 122469389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).