15-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide

C131H91N6O3P3 — CID 158790160

About 15-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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 158790160) has the molecular formula C131H91N6O3P3 and a molecular weight of 1890.13 g/mol. Its IUPAC name is 15-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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: 158790160
• Molecular Formula: C131H91N6O3P3
• Molecular Weight: 1890.13 g/mol
• Exact Mass: 1888.64
• IUPAC Name: 15-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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: CCc1nc2cccc3c2n1-c1c(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)cccc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1c(-c2c4ccccc4c(-c4cccc5ccccc45)c4ccccc24)cccc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1c(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)cccc1P3(=O)c1ccccc1
• InChI: InChI=1S/2C45H31N2OP.C41H29N2OP/c1-2-41-46-38-26-14-28-40-45(38)47(41)44-37(25-13-27-39(44)49(40,48)30-17-4-3-5-18-30)43-35-22-10-8-20-33(35)42(34-21-9-11-23-36(34)43)32-24-12-16-29-15-6-7-19-31(29)32;1-2-41-46-38-23-13-25-40-45(38)47(41)44-37(22-12-24-39(44)49(40,48)32-16-4-3-5-17-32)43-35-20-10-8-18-33(35)42(34-19-9-11-21-36(34)43)31-27-26-29-14-6-7-15-30(29)28-31;1-2-37-42-34-24-14-26-36-41(34)43(37)40-33(23-13-25-35(40)45(36,44)28-17-7-4-8-18-28)39-31-21-11-9-19-29(31)38(27-15-5-3-6-16-27)30-20-10-12-22-32(30)39/h2*3-28H,2H2,1H3;3-26H,2H2,1H3
• InChIKey: ISEDNEDSAALHDF-UHFFFAOYSA-N
• XLogP: 29.85
• TPSA: 104.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1890.13
LogP ≤ 5	29.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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 158790160) is 15-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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 CCc1nc2cccc3c2n1-c1c(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)cccc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1c(-c2c4ccccc4c(-c4cccc5ccccc45)c4ccccc24)cccc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1c(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)cccc1P3(=O)c1ccccc1.

What is the InChIKey of 15-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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 ISEDNEDSAALHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H31N2OP.C41H29N2OP/c1-2-41-46-38-26-14-28-40-45(38)47(41)44-37(25-13-27-39(44)49(40,48)30-17-4-3-5-18-30)43-35-22-10-8-20-33(35)42(34-21-9-11-23-36(34)43)32-24-12-16-29-15-6-7-19-31(29)32;1-2-41-46-38-23-13-25-40-45(38)47(41)44-37(22-12-24-39(44)49(40,48)32-16-4-3-5-17-32)43-35-20-10-8-18-33(35)42(34-19-9-11-21-36(34)43)31-27-26-29-14-6-7-15-30(29)28-31;1-2-37-42-34-24-14-26-36-41(34)43(37)40-33(23-13-25-35(40)45(36,44)28-17-7-4-8-18-28)39-31-21-11-9-19-29(31)38(27-15-5-3-6-16-27)30-20-10-12-22-32(30)39/h2*3-28H,2H2,1H3;3-26H,2H2,1H3.

What are the key properties of 15-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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 1890.13 g/mol, XLogP of 29.85, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 15-ethyl-3-(10-naphthalen-1-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-ethyl-3-(10-naphthalen-2-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-ethyl-8-phenyl-3-(10-phenylanthracen-9-yl)-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 158790160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).