15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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

C87H62N7O3P3S — CID 161238852

About 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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

15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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 161238852) has the molecular formula C87H62N7O3P3S and a molecular weight of 1378.49 g/mol. Its IUPAC name is 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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: 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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: 161238852
• Molecular Formula: C87H62N7O3P3S
• Molecular Weight: 1378.49 g/mol
• Exact Mass: 1377.38
• IUPAC Name: 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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: Cc1nc2cccc3c2n1-c1ccc(-c2ccc(-c4ccc(-c5ccccc5)s4)cc2)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2ccccc2)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2ccncc2)cc1P3(=O)c1ccccc1
• InChI: InChI=1S/C36H25N2OPS.C26H19N2OP.C25H18N3OP/c1-24-37-30-13-8-14-32-36(30)38(24)31-20-19-28(23-33(31)40(32,39)29-11-6-3-7-12-29)25-15-17-27(18-16-25)35-22-21-34(41-35)26-9-4-2-5-10-26;1-18-27-22-13-8-14-24-26(22)28(18)23-16-15-20(19-9-4-2-5-10-19)17-25(23)30(24,29)21-11-6-3-7-12-21;1-17-27-21-8-5-9-23-25(21)28(17)22-11-10-19(18-12-14-26-15-13-18)16-24(22)30(23,29)20-6-3-2-4-7-20/h2-23H,1H3;2-17H,1H3;2-16H,1H3
• InChIKey: UZSQCPMQXJQURY-UHFFFAOYSA-N
• XLogP: 17.65
• TPSA: 117.56 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1378.49
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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 161238852) is 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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 Cc1nc2cccc3c2n1-c1ccc(-c2ccc(-c4ccc(-c5ccccc5)s4)cc2)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2ccccc2)cc1P3(=O)c1ccccc1.Cc1nc2cccc3c2n1-c1ccc(-c2ccncc2)cc1P3(=O)c1ccccc1.

What is the InChIKey of 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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 UZSQCPMQXJQURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N2OPS.C26H19N2OP.C25H18N3OP/c1-24-37-30-13-8-14-32-36(30)38(24)31-20-19-28(23-33(31)40(32,39)29-11-6-3-7-12-29)25-15-17-27(18-16-25)35-22-21-34(41-35)26-9-4-2-5-10-26;1-18-27-22-13-8-14-24-26(22)28(18)23-16-15-20(19-9-4-2-5-10-19)17-25(23)30(24,29)21-11-6-3-7-12-21;1-17-27-21-8-5-9-23-25(21)28(17)22-11-10-19(18-12-14-26-15-13-18)16-24(22)30(23,29)20-6-3-2-4-7-20/h2-23H,1H3;2-17H,1H3;2-16H,1H3.

What are the key properties of 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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?

15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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 1378.49 g/mol, XLogP of 17.65, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 15-methyl-5,8-diphenyl-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-8-phenyl-5-[4-(5-phenylthiophen-2-yl)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-8-phenyl-5-pyridin-4-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 161238852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).