6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C50H31NO — CID 134172365

About 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 134172365) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• PubChem CID: 134172365
• Molecular Formula: C50H31NO
• Molecular Weight: 661.80 g/mol
• Exact Mass: 661.24
• IUPAC Name: 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
• SMILES: c1ccc(C2=Nc3cccc4c3C2c2cccc(-c3ccc5c(-c6ccccc6)c6ccccc6c(-c6cccc7ccccc67)c5c3)c2O4)cc1
• InChI: InChI=1S/C50H31NO/c1-3-15-32(16-4-1)45-38-21-9-10-22-39(38)46(37-24-11-19-31-14-7-8-20-35(31)37)42-30-34(28-29-40(42)45)36-23-12-25-41-47-48-43(26-13-27-44(48)52-50(36)41)51-49(47)33-17-5-2-6-18-33/h1-30,47H
• InChIKey: LXTDMKYREUWNPZ-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.80
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The IUPAC name of 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 134172365) is 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

What is the SMILES notation for 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The canonical SMILES for 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is c1ccc(C2=Nc3cccc4c3C2c2cccc(-c3ccc5c(-c6ccccc6)c6ccccc6c(-c6cccc7ccccc67)c5c3)c2O4)cc1.

What is the InChIKey of 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

The InChIKey is LXTDMKYREUWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-3-15-32(16-4-1)45-38-21-9-10-22-39(38)46(37-24-11-19-31-14-7-8-20-35(31)37)42-30-34(28-29-40(42)45)36-23-12-25-41-47-48-43(26-13-27-44(48)52-50(36)41)51-49(47)33-17-5-2-6-18-33/h1-30,47H.

What are the key properties of 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?

6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 661.80 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-15-phenyl-8-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 134172365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).