12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C44H30O2 — CID 144725705

About 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 144725705) has the molecular formula C44H30O2 and a molecular weight of 590.72 g/mol. Its IUPAC name is 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 144725705
• Molecular Formula: C44H30O2
• Molecular Weight: 590.72 g/mol
• Exact Mass: 590.22
• IUPAC Name: 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: C=COc1ccc2cc(C3(c4ccc5cc(OC)ccc5c4)c4ccc5ccccc5c4-c4ccc5ccccc5c43)ccc2c1
• InChI: InChI=1S/C44H30O2/c1-3-46-37-21-15-31-25-35(19-13-33(31)27-37)44(34-18-12-32-26-36(45-2)20-14-30(32)24-34)41-23-17-28-8-4-6-10-38(28)42(41)40-22-16-29-9-5-7-11-39(29)43(40)44/h3-27H,1H2,2H3
• InChIKey: PAMPIJOYXRINJV-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.72
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 144725705) is 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is C=COc1ccc2cc(C3(c4ccc5cc(OC)ccc5c4)c4ccc5ccccc5c4-c4ccc5ccccc5c43)ccc2c1.

What is the InChIKey of 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is PAMPIJOYXRINJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O2/c1-3-46-37-21-15-31-25-35(19-13-33(31)27-37)44(34-18-12-32-26-36(45-2)20-14-30(32)24-34)41-23-17-28-8-4-6-10-38(28)42(41)40-22-16-29-9-5-7-11-39(29)43(40)44/h3-27H,1H2,2H3.

What are the key properties of 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 590.72 g/mol, XLogP of 11.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(6-ethenoxynaphthalen-2-yl)-12-(6-methoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 144725705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).