6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide

C39H28NOP — CID 134444555

About 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide

6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide (PubChem CID 134444555) has the molecular formula C39H28NOP and a molecular weight of 557.63 g/mol. Its IUPAC name is 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide.

Molecular Properties

• Compound Name: 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide
• PubChem CID: 134444555
• Molecular Formula: C39H28NOP
• Molecular Weight: 557.63 g/mol
• Exact Mass: 557.19
• IUPAC Name: 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide
• SMILES: C=Cc1c(/C=C\C)n(-c2ccc3ccccc3c2)c2c3c(ccc12)-c1ccc2ccccc2c1P3(=O)c1ccccc1
• InChI: InChI=1S/C39H28NOP/c1-3-12-36-31(4-2)33-23-24-35-34-22-20-27-14-10-11-18-32(27)38(34)42(41,30-16-6-5-7-17-30)39(35)37(33)40(36)29-21-19-26-13-8-9-15-28(26)25-29/h3-25H,2H2,1H3/b12-3-
• InChIKey: PSERKZCPKAHTBT-BASWHVEKSA-N
• XLogP: 9.23
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.63
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide?

The IUPAC name of 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide (CID 134444555) is 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide.

What is the SMILES notation for 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide?

The canonical SMILES for 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide is C=Cc1c(/C=C\C)n(-c2ccc3ccccc3c2)c2c3c(ccc12)-c1ccc2ccccc2c1P3(=O)c1ccccc1.

What is the InChIKey of 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide?

The InChIKey is PSERKZCPKAHTBT-BASWHVEKSA-N. The full InChI is InChI=1S/C39H28NOP/c1-3-12-36-31(4-2)33-23-24-35-34-22-20-27-14-10-11-18-32(27)38(34)42(41,30-16-6-5-7-17-30)39(35)37(33)40(36)29-21-19-26-13-8-9-15-28(26)25-29/h3-25H,2H2,1H3/b12-3-.

What are the key properties of 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide?

6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide has a molecular weight of 557.63 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethenyl-8-naphthalen-2-yl-11-phenyl-7-[(Z)-prop-1-enyl]-8-aza-11λ5-phosphapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene 11-oxide is sourced from PubChem (CID 134444555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).