17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C52H28O4 — CID 174264298

About 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 174264298) has the molecular formula C52H28O4 and a molecular weight of 716.79 g/mol. Its IUPAC name is 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

• Compound Name: 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
• PubChem CID: 174264298
• Molecular Formula: C52H28O4
• Molecular Weight: 716.79 g/mol
• Exact Mass: 716.20
• IUPAC Name: 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
• SMILES: c1ccc2c(c1)oc1cc3cc(-c4c5ccccc5c(-c5ccc(-c6ccc7c(c6)oc6c7ccc7oc8ccccc8c76)cc5)c5ccccc45)oc3cc12
• InChI: InChI=1S/C52H28O4/c1-3-12-37-35(10-1)49(36-11-2-4-13-38(36)50(37)48-27-32-26-47-41(28-45(32)55-48)33-9-5-7-15-42(33)54-47)30-19-17-29(18-20-30)31-21-22-34-39-23-24-44-51(52(39)56-46(34)25-31)40-14-6-8-16-43(40)53-44/h1-28H
• InChIKey: AFUUXLKGLSOUGR-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.79
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

The IUPAC name of 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 174264298) is 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

What is the SMILES notation for 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

The canonical SMILES for 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is c1ccc2c(c1)oc1cc3cc(-c4c5ccccc5c(-c5ccc(-c6ccc7c(c6)oc6c7ccc7oc8ccccc8c76)cc5)c5ccccc45)oc3cc12.

What is the InChIKey of 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

The InChIKey is AFUUXLKGLSOUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28O4/c1-3-12-37-35(10-1)49(36-11-2-4-13-38(36)50(37)48-27-32-26-47-41(28-45(32)55-48)33-9-5-7-15-42(33)54-47)30-19-17-29(18-20-30)31-21-22-34-39-23-24-44-51(52(39)56-46(34)25-31)40-14-6-8-16-43(40)53-44/h1-28H.

What are the key properties of 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?

17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 716.79 g/mol, XLogP of 15.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[4-[10-([1]benzofuro[5,6-b][1]benzofuran-2-yl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 174264298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).