15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

C57H35N2OP — CID 122486889

About 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (PubChem CID 122486889) has the molecular formula C57H35N2OP and a molecular weight of 794.89 g/mol. Its IUPAC name is 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

Molecular Properties

• Compound Name: 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• PubChem CID: 122486889
• Molecular Formula: C57H35N2OP
• Molecular Weight: 794.89 g/mol
• Exact Mass: 794.25
• IUPAC Name: 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
• SMILES: O=P1(c2ccccc2)c2c(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cccc2-n2c(-c3ccc4ccccc4c3)nc3cccc1c32
• InChI: InChI=1S/C57H35N2OP/c60-61(40-19-2-1-3-20-40)52-31-15-29-50-55(52)59(57(58-50)39-33-32-36-16-4-5-17-37(36)34-39)51-30-14-28-48(56(51)61)53-44-24-10-12-26-46(44)54(47-27-13-11-25-45(47)53)49-35-38-18-6-7-21-41(38)42-22-8-9-23-43(42)49/h1-35H
• InChIKey: DEYMYBHMYQNSNN-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 34.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.89
LogP ≤ 5	13.75
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The IUPAC name of 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide (CID 122486889) is 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide.

What is the SMILES notation for 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The canonical SMILES for 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is O=P1(c2ccccc2)c2c(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cccc2-n2c(-c3ccc4ccccc4c3)nc3cccc1c32.

What is the InChIKey of 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

The InChIKey is DEYMYBHMYQNSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N2OP/c60-61(40-19-2-1-3-20-40)52-31-15-29-50-55(52)59(57(58-50)39-33-32-36-16-4-5-17-37(36)34-39)51-30-14-28-48(56(51)61)53-44-24-10-12-26-46(44)54(47-27-13-11-25-45(47)53)49-35-38-18-6-7-21-41(38)42-22-8-9-23-43(42)49/h1-35H.

What are the key properties of 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide?

15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide has a molecular weight of 794.89 g/mol, XLogP of 13.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide is sourced from PubChem (CID 122486889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).