5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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

C143H95N9O4P4 — CID 159836448

About 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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

5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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 (PubChem CID 159836448) has the molecular formula C143H95N9O4P4 and a molecular weight of 2127.29 g/mol. Its IUPAC name is 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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.

Molecular Properties

• Compound Name: 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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
• PubChem CID: 159836448
• Molecular Formula: C143H95N9O4P4
• Molecular Weight: 2127.29 g/mol
• Exact Mass: 2125.65
• IUPAC Name: 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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
• SMILES: Cc1nc2cccc3c2n1-c1ccc(-c2cc4ccccc4c4ccccc24)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2cc4ccccc4c4ncccc24)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2ccc(-c4cc5ccccc5c5ccccc45)cc2)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2ccc4c5c(cccc25)-c2ccccc2-4)cc1P3(=O)c1ccccc1
• InChI: InChI=1S/C40H27N2OP.C36H23N2OP.C34H23N2OP.C33H22N3OP/c1-26-41-36-16-9-17-38-40(36)42(26)37-23-22-29(25-39(37)44(38,43)31-11-3-2-4-12-31)27-18-20-28(21-19-27)35-24-30-10-5-6-13-32(30)33-14-7-8-15-34(33)35;1-22-37-31-15-8-16-33-36(31)38(22)32-20-17-23(21-34(32)40(33,39)24-9-3-2-4-10-24)25-18-19-30-27-12-6-5-11-26(27)29-14-7-13-28(25)35(29)30;1-22-35-30-16-9-17-32-34(30)36(22)31-19-18-24(21-33(31)38(32,37)25-11-3-2-4-12-25)29-20-23-10-5-6-13-26(23)27-14-7-8-15-28(27)29;1-21-35-28-14-7-15-30-33(28)36(21)29-17-16-23(20-31(29)38(30,37)24-10-3-2-4-11-24)27-19-22-9-5-6-12-25(22)32-26(27)13-8-18-34-32/h2-25H,1H3;2-21H,1H3;2-21H,1H3;2-20H,1H3
• InChIKey: NODFKVQVJLDLIG-UHFFFAOYSA-N
• XLogP: 30.60
• TPSA: 152.45 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.29
LogP ≤ 5	30.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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?

The IUPAC name of 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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 (CID 159836448) is 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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.

What is the SMILES notation for 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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?

The canonical SMILES for 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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 is Cc1nc2cccc3c2n1-c1ccc(-c2cc4ccccc4c4ccccc24)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2cc4ccccc4c4ncccc24)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2ccc(-c4cc5ccccc5c5ccccc45)cc2)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2ccc4c5c(cccc25)-c2ccccc2-4)cc1P3(=O)c1ccccc1.

What is the InChIKey of 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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?

The InChIKey is NODFKVQVJLDLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N2OP.C36H23N2OP.C34H23N2OP.C33H22N3OP/c1-26-41-36-16-9-17-38-40(36)42(26)37-23-22-29(25-39(37)44(38,43)31-11-3-2-4-12-31)27-18-20-28(21-19-27)35-24-30-10-5-6-13-32(30)33-14-7-8-15-34(33)35;1-22-37-31-15-8-16-33-36(31)38(22)32-20-17-23(21-34(32)40(33,39)24-9-3-2-4-10-24)25-18-19-30-27-12-6-5-11-26(27)29-14-7-13-28(25)35(29)30;1-22-35-30-16-9-17-32-34(30)36(22)31-19-18-24(21-33(31)38(32,37)25-11-3-2-4-12-25)29-20-23-10-5-6-13-26(23)27-14-7-8-15-28(27)29;1-21-35-28-14-7-15-30-33(28)36(21)29-17-16-23(20-31(29)38(30,37)24-10-3-2-4-11-24)27-19-22-9-5-6-12-25(22)32-26(27)13-8-18-34-32/h2-25H,1H3;2-21H,1H3;2-21H,1H3;2-20H,1H3.

What are the key properties of 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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?

5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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 has a molecular weight of 2127.29 g/mol, XLogP of 30.60, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzo[h]quinolin-5-yl-15-methyl-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;5-fluoranthen-3-yl-15-methyl-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-methyl-5-phenanthren-9-yl-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-methyl-5-(4-phenanthren-9-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 is sourced from PubChem (CID 159836448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).