15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide

C47H33N2OP — CID 122486748

About 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide

15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide (PubChem CID 122486748) has the molecular formula C47H33N2OP and a molecular weight of 672.77 g/mol. Its IUPAC name is 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide.

Molecular Properties

• Compound Name: 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
• PubChem CID: 122486748
• Molecular Formula: C47H33N2OP
• Molecular Weight: 672.77 g/mol
• Exact Mass: 672.23
• IUPAC Name: 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide
• SMILES: CCc1nc2cccc3c2n1-c1ccc(-c2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c2)cc1P3(=O)c1ccccc1
• InChI: InChI=1S/C47H33N2OP/c1-2-44-48-40-25-14-26-42-47(40)49(44)41-28-27-33(30-43(41)51(42,50)35-19-7-4-8-20-35)32-17-13-18-34(29-32)46-38-23-11-9-21-36(38)45(31-15-5-3-6-16-31)37-22-10-12-24-39(37)46/h3-30H,2H2,1H3
• InChIKey: FNYZLXFJOFYUPZ-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 34.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.77
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

The IUPAC name of 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide (CID 122486748) is 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide.

What is the SMILES notation for 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

The canonical SMILES for 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide is CCc1nc2cccc3c2n1-c1ccc(-c2cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c2)cc1P3(=O)c1ccccc1.

What is the InChIKey of 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

The InChIKey is FNYZLXFJOFYUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N2OP/c1-2-44-48-40-25-14-26-42-47(40)49(44)41-28-27-33(30-43(41)51(42,50)35-19-7-4-8-20-35)32-17-13-18-34(29-32)46-38-23-11-9-21-36(38)45(31-15-5-3-6-16-31)37-22-10-12-24-39(37)46/h3-30H,2H2,1H3.

What are the key properties of 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide?

15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide has a molecular weight of 672.77 g/mol, XLogP of 10.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-ethyl-8-phenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8-oxide is sourced from PubChem (CID 122486748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).