5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C49H30N2O — CID 122469279

About 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-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 122469279) has the molecular formula C49H30N2O and a molecular weight of 662.79 g/mol. Its IUPAC name is 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-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: 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-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: 122469279
• Molecular Formula: C49H30N2O
• Molecular Weight: 662.79 g/mol
• Exact Mass: 662.24
• IUPAC Name: 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• SMILES: c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5c(c4)Oc4cccc6nc(-c7ccccc7)n-5c46)c3c2)cc1
• InChI: InChI=1S/C49H30N2O/c1-3-12-31(13-4-1)35-24-26-40-41(29-35)47(39-19-10-9-18-38(39)46(40)36-23-22-32-14-7-8-17-34(32)28-36)37-25-27-43-45(30-37)52-44-21-11-20-42-48(44)51(43)49(50-42)33-15-5-2-6-16-33/h1-30H
• InChIKey: WKGVVXWAXZSGBA-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.79
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-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 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 122469279) is 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-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 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-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 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5c(c4)Oc4cccc6nc(-c7ccccc7)n-5c46)c3c2)cc1.

What is the InChIKey of 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-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 WKGVVXWAXZSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O/c1-3-12-31(13-4-1)35-24-26-40-41(29-35)47(39-19-10-9-18-38(39)46(40)36-23-22-32-14-7-8-17-34(32)28-36)37-25-27-43-45(30-37)52-44-21-11-20-42-48(44)51(43)49(50-42)33-15-5-2-6-16-33/h1-30H.

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

5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-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 662.79 g/mol, XLogP of 13.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-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 122469279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).