7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C44H24O3 — CID 153314427

About 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 153314427) has the molecular formula C44H24O3 and a molecular weight of 600.67 g/mol. Its IUPAC name is 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• PubChem CID: 153314427
• Molecular Formula: C44H24O3
• Molecular Weight: 600.67 g/mol
• Exact Mass: 600.17
• IUPAC Name: 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
• SMILES: c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4cccc5c4oc4ccc6oc7ccccc7c6c45)c4ccccc34)ccc12
• InChI: InChI=1S/C44H24O3/c1-3-13-30-28(11-1)40(25-20-21-27-26-10-5-7-18-35(26)46-39(27)24-25)29-12-2-4-14-31(29)41(30)33-16-9-17-34-43-38(47-44(33)34)23-22-37-42(43)32-15-6-8-19-36(32)45-37/h1-24H
• InChIKey: GFPKISIPXBCRKX-UHFFFAOYSA-N
• XLogP: 13.03
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.67
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The IUPAC name of 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 153314427) is 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

What is the SMILES notation for 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The canonical SMILES for 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4cccc5c4oc4ccc6oc7ccccc7c6c45)c4ccccc34)ccc12.

What is the InChIKey of 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

The InChIKey is GFPKISIPXBCRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24O3/c1-3-13-30-28(11-1)40(25-20-21-27-26-10-5-7-18-35(26)46-39(27)24-25)29-12-2-4-14-31(29)41(30)33-16-9-17-34-43-38(47-44(33)34)23-22-37-42(43)32-15-6-8-19-36(32)45-37/h1-24H.

What are the key properties of 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?

7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 600.67 g/mol, XLogP of 13.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 153314427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).