4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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

C135H95N6O3P3 — CID 158993033

About 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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

4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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 158993033) has the molecular formula C135H95N6O3P3 and a molecular weight of 1942.21 g/mol. Its IUPAC name is 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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: 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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: 158993033
• Molecular Formula: C135H95N6O3P3
• Molecular Weight: 1942.21 g/mol
• Exact Mass: 1940.67
• IUPAC Name: 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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-c1cc(-c2ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc2)ccc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2ccc(-c4ccc5ccccc5c4)cc2)ccc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2ccc4cc(-c5ccccc5)ccc4c2)ccc1P3(=O)c1ccccc1
• InChI: InChI=1S/C61H41N2OP.2C37H27N2OP/c1-2-58-62-54-21-12-22-57-61(54)63(58)55-38-46(32-34-56(55)65(57,64)49-17-4-3-5-18-49)42-25-23-41(24-26-42)45-31-33-52-53(37-45)60(48-30-28-40-14-7-9-16-44(40)36-48)51-20-11-10-19-50(51)59(52)47-29-27-39-13-6-8-15-43(39)35-47;1-2-36-38-32-14-9-15-35-37(32)39(36)33-24-30(20-21-34(33)41(35,40)31-12-7-4-8-13-31)29-19-18-27-22-26(16-17-28(27)23-29)25-10-5-3-6-11-25;1-2-36-38-32-13-8-14-35-37(32)39(36)33-24-30(21-22-34(33)41(35,40)31-11-4-3-5-12-31)27-17-15-26(16-18-27)29-20-19-25-9-6-7-10-28(25)23-29/h3-38H,2H2,1H3;2*3-24H,2H2,1H3
• InChIKey: JQKBLAYEZJMHCQ-UHFFFAOYSA-N
• XLogP: 30.88
• TPSA: 104.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1942.21
LogP ≤ 5	30.88
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 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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 158993033) is 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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-c1cc(-c2ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc2)ccc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2ccc(-c4ccc5ccccc5c4)cc2)ccc1P3(=O)c1ccccc1.CCc1nc2cccc3c2n1-c1cc(-c2ccc4cc(-c5ccccc5)ccc4c2)ccc1P3(=O)c1ccccc1.

What is the InChIKey of 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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 JQKBLAYEZJMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N2OP.2C37H27N2OP/c1-2-58-62-54-21-12-22-57-61(54)63(58)55-38-46(32-34-56(55)65(57,64)49-17-4-3-5-18-49)42-25-23-41(24-26-42)45-31-33-52-53(37-45)60(48-30-28-40-14-7-9-16-44(40)36-48)51-20-11-10-19-50(51)59(52)47-29-27-39-13-6-8-15-43(39)35-47;1-2-36-38-32-14-9-15-35-37(32)39(36)33-24-30(20-21-34(33)41(35,40)31-12-7-4-8-13-31)29-19-18-27-22-26(16-17-28(27)23-29)25-10-5-3-6-11-25;1-2-36-38-32-13-8-14-35-37(32)39(36)33-24-30(21-22-34(33)41(35,40)31-11-4-3-5-12-31)27-17-15-26(16-18-27)29-20-19-25-9-6-7-10-28(25)23-29/h3-38H,2H2,1H3;2*3-24H,2H2,1H3.

What are the key properties of 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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?

4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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 1942.21 g/mol, XLogP of 30.88, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-15-ethyl-8-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-4-(4-naphthalen-2-ylphenyl)-8-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-4-(6-phenylnaphthalen-2-yl)-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 158993033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).