14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide

C38H23O3P — CID 118220255

About 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide

14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide (PubChem CID 118220255) has the molecular formula C38H23O3P and a molecular weight of 558.57 g/mol. Its IUPAC name is 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide.

Molecular Properties

• Compound Name: 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide
• PubChem CID: 118220255
• Molecular Formula: C38H23O3P
• Molecular Weight: 558.57 g/mol
• Exact Mass: 558.14
• IUPAC Name: 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide
• SMILES: O=P12c3ccc(-c4ccccc4)cc3Oc3ccc(-c4ccc5ccccc5c4)c(c31)Oc1ccc3ccccc3c12
• InChI: InChI=1S/C38H23O3P/c39-42-35-21-17-28(24-8-2-1-3-9-24)23-34(35)40-33-20-18-30(29-15-14-25-10-4-5-12-27(25)22-29)36(38(33)42)41-32-19-16-26-11-6-7-13-31(26)37(32)42/h1-23H
• InChIKey: WPWYZXLDOJSBNB-UHFFFAOYSA-N
• XLogP: 9.18
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.57
LogP ≤ 5	9.18
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 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide?

The IUPAC name of 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide (CID 118220255) is 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide.

What is the SMILES notation for 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide?

The canonical SMILES for 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide is O=P12c3ccc(-c4ccccc4)cc3Oc3ccc(-c4ccc5ccccc5c4)c(c31)Oc1ccc3ccccc3c12.

What is the InChIKey of 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide?

The InChIKey is WPWYZXLDOJSBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23O3P/c39-42-35-21-17-28(24-8-2-1-3-9-24)23-34(35)40-33-20-18-30(29-15-14-25-10-4-5-12-27(25)22-29)36(38(33)42)41-32-19-16-26-11-6-7-13-31(26)37(32)42/h1-23H.

What are the key properties of 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide?

14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide has a molecular weight of 558.57 g/mol, XLogP of 9.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-naphthalen-2-yl-21-phenyl-12,18-dioxa-1λ5-phosphahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaene 1-oxide is sourced from PubChem (CID 118220255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).