8,15-diphenyl-5-(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

C41H27N2OP — CID 122486806

About 8,15-diphenyl-5-(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

8,15-diphenyl-5-(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 122486806) has the molecular formula C41H27N2OP and a molecular weight of 594.65 g/mol. Its IUPAC name is 8,15-diphenyl-5-(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: 8,15-diphenyl-5-(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: 122486806
• Molecular Formula: C41H27N2OP
• Molecular Weight: 594.65 g/mol
• Exact Mass: 594.19
• IUPAC Name: 8,15-diphenyl-5-(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: O=P1(c2ccccc2)c2cc(-c3ccc4cc(-c5ccccc5)ccc4c3)ccc2-n2c(-c3ccccc3)nc3cccc1c32
• InChI: InChI=1S/C41H27N2OP/c44-45(35-15-8-3-9-16-35)38-18-10-17-36-40(38)43(41(42-36)29-13-6-2-7-14-29)37-24-23-34(27-39(37)45)33-22-21-31-25-30(19-20-32(31)26-33)28-11-4-1-5-12-28/h1-27H
• InChIKey: YMDPBGMNDZPZSW-UHFFFAOYSA-N
• XLogP: 9.13
• TPSA: 34.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.65
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,15-diphenyl-5-(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 8,15-diphenyl-5-(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 122486806) is 8,15-diphenyl-5-(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 8,15-diphenyl-5-(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 8,15-diphenyl-5-(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 O=P1(c2ccccc2)c2cc(-c3ccc4cc(-c5ccccc5)ccc4c3)ccc2-n2c(-c3ccccc3)nc3cccc1c32.

What is the InChIKey of 8,15-diphenyl-5-(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 YMDPBGMNDZPZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N2OP/c44-45(35-15-8-3-9-16-35)38-18-10-17-36-40(38)43(41(42-36)29-13-6-2-7-14-29)37-24-23-34(27-39(37)45)33-22-21-31-25-30(19-20-32(31)26-33)28-11-4-1-5-12-28/h1-27H.

What are the key properties of 8,15-diphenyl-5-(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?

8,15-diphenyl-5-(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 594.65 g/mol, XLogP of 9.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,15-diphenyl-5-(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 122486806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).