15-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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

C151H95N6O3P3 — CID 158668664

About 15-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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 158668664) has the molecular formula C151H95N6O3P3 and a molecular weight of 2134.38 g/mol. Its IUPAC name is 15-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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: 158668664
• Molecular Formula: C151H95N6O3P3
• Molecular Weight: 2134.38 g/mol
• Exact Mass: 2132.67
• IUPAC Name: 15-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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)c2ccccc2-n2c(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc3cccc1c32.O=P1(c2ccccc2)c2ccccc2-n2c(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)nc3cccc1c32.O=P1(c2ccccc2)c2ccccc2-n2c(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)nc3cccc1c32
• InChI: InChI=1S/2C53H33N2OP.C45H29N2OP/c56-57(37-19-2-1-3-20-37)48-29-11-10-28-47(48)55-52-46(27-14-30-49(52)57)54-53(55)36-31-32-44-45(33-36)51(41-26-13-18-35-16-5-7-22-39(35)41)43-24-9-8-23-42(43)50(44)40-25-12-17-34-15-4-6-21-38(34)40;56-57(41-17-2-1-3-18-41)48-23-11-10-22-47(48)55-52-46(21-12-24-49(52)57)54-53(55)40-29-30-44-45(33-40)51(39-28-26-35-14-5-7-16-37(35)32-39)43-20-9-8-19-42(43)50(44)38-27-25-34-13-4-6-15-36(34)31-38;48-49(33-19-8-3-9-20-33)40-25-13-12-24-39(40)47-44-38(23-14-26-41(44)49)46-45(47)32-27-28-36-37(29-32)43(31-17-6-2-7-18-31)35-22-11-10-21-34(35)42(36)30-15-4-1-5-16-30/h2*1-33H;1-29H
• InChIKey: IDRGNQNXMAUPGH-UHFFFAOYSA-N
• XLogP: 35.47
• TPSA: 104.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2134.38
LogP ≤ 5	35.47
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-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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 158668664) is 15-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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)c2ccccc2-n2c(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc3cccc1c32.O=P1(c2ccccc2)c2ccccc2-n2c(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5cccc6ccccc56)c4c3)nc3cccc1c32.O=P1(c2ccccc2)c2ccccc2-n2c(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)nc3cccc1c32.

What is the InChIKey of 15-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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 IDRGNQNXMAUPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H33N2OP.C45H29N2OP/c56-57(37-19-2-1-3-20-37)48-29-11-10-28-47(48)55-52-46(27-14-30-49(52)57)54-53(55)36-31-32-44-45(33-36)51(41-26-13-18-35-16-5-7-22-39(35)41)43-24-9-8-23-42(43)50(44)40-25-12-17-34-15-4-6-21-38(34)40;56-57(41-17-2-1-3-18-41)48-23-11-10-22-47(48)55-52-46(21-12-24-49(52)57)54-53(55)40-29-30-44-45(33-40)51(39-28-26-35-14-5-7-16-37(35)32-39)43-20-9-8-19-42(43)50(44)38-27-25-34-13-4-6-15-36(34)31-38;48-49(33-19-8-3-9-20-33)40-25-13-12-24-39(40)47-44-38(23-14-26-41(44)49)46-45(47)32-27-28-36-37(29-32)43(31-17-6-2-7-18-31)35-22-11-10-21-34(35)42(36)30-15-4-1-5-16-30/h2*1-33H;1-29H.

What are the key properties of 15-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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 2134.38 g/mol, XLogP of 35.47, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(9,10-dinaphthalen-1-ylanthracen-2-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-(9,10-dinaphthalen-2-ylanthracen-2-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-(9,10-diphenylanthracen-2-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 158668664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).