4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

C43H26N4O — CID 134389146

About 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 134389146) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

Molecular Properties

• Compound Name: 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
• PubChem CID: 134389146
• Molecular Formula: C43H26N4O
• Molecular Weight: 614.71 g/mol
• Exact Mass: 614.21
• IUPAC Name: 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
• SMILES: c1cncc(-c2cc(-c3cccnc3)cc(-c3c4ccccc4c(-c4ccc5nc6c7ccccc7oc6n5c4)c4ccccc34)c2)c1
• InChI: InChI=1S/C43H26N4O/c1-3-13-35-33(11-1)40(29-17-18-39-46-42-37-15-5-6-16-38(37)48-43(42)47(39)26-29)34-12-2-4-14-36(34)41(35)32-22-30(27-9-7-19-44-24-27)21-31(23-32)28-10-8-20-45-25-28/h1-26H
• InChIKey: OKWLVKWWUZZSJS-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 56.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.71
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?

The IUPAC name of 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 134389146) is 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

What is the SMILES notation for 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?

The canonical SMILES for 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is c1cncc(-c2cc(-c3cccnc3)cc(-c3c4ccccc4c(-c4ccc5nc6c7ccccc7oc6n5c4)c4ccccc34)c2)c1.

What is the InChIKey of 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?

The InChIKey is OKWLVKWWUZZSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-3-13-35-33(11-1)40(29-17-18-39-46-42-37-15-5-6-16-38(37)48-43(42)47(39)26-29)34-12-2-4-14-36(34)41(35)32-22-30(27-9-7-19-44-24-27)21-31(23-32)28-10-8-20-45-25-28/h1-26H.

What are the key properties of 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?

4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 614.71 g/mol, XLogP of 11.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 134389146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).