1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran

C32H18O2 — CID 177298062

About 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran

1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 177298062) has the molecular formula C32H18O2 and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

• Compound Name: 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran
• PubChem CID: 177298062
• Molecular Formula: C32H18O2
• Molecular Weight: 434.49 g/mol
• Exact Mass: 434.13
• IUPAC Name: 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran
• SMILES: c1ccc2c(c1)Oc1cccc3cc(-c4cccc5oc6cc7ccccc7cc6c45)cc-2c13
• InChI: InChI=1S/C32H18O2/c1-2-8-20-18-30-26(16-19(20)7-1)32-23(11-6-14-29(32)34-30)22-15-21-9-5-13-28-31(21)25(17-22)24-10-3-4-12-27(24)33-28/h1-18H
• InChIKey: MMYINYCHZMVEMD-UHFFFAOYSA-N
• XLogP: 9.33
• TPSA: 22.37 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.49
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran?

The IUPAC name of 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran (CID 177298062) is 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran.

What is the SMILES notation for 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran?

The canonical SMILES for 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran is c1ccc2c(c1)Oc1cccc3cc(-c4cccc5oc6cc7ccccc7cc6c45)cc-2c13.

What is the InChIKey of 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran?

The InChIKey is MMYINYCHZMVEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18O2/c1-2-8-20-18-30-26(16-19(20)7-1)32-23(11-6-14-29(32)34-30)22-15-21-9-5-13-28-31(21)25(17-22)24-10-3-4-12-27(24)33-28/h1-18H.

What are the key properties of 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran?

1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 434.49 g/mol, XLogP of 9.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-15-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 177298062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).