12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

C52H30O2 — CID 134487879

About 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 134487879) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 134487879
• Molecular Formula: C52H30O2
• Molecular Weight: 686.81 g/mol
• Exact Mass: 686.22
• IUPAC Name: 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: c1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6c7oc8ccccc8c7cc7c6oc6ccccc67)c6ccccc56)ccc4c3)ccc2c1
• InChI: InChI=1S/C52H30O2/c1-2-12-32-27-33(22-21-31(32)11-1)34-23-24-36-29-37(26-25-35(36)28-34)48-40-15-3-5-17-42(40)49(43-18-6-4-16-41(43)48)50-51-44(38-13-7-9-19-46(38)53-51)30-45-39-14-8-10-20-47(39)54-52(45)50/h1-30H
• InChIKey: JJOGXQWQXXJYHD-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.81
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 134487879) is 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6c7oc8ccccc8c7cc7c6oc6ccccc67)c6ccccc56)ccc4c3)ccc2c1.

What is the InChIKey of 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is JJOGXQWQXXJYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O2/c1-2-12-32-27-33(22-21-31(32)11-1)34-23-24-36-29-37(26-25-35(36)28-34)48-40-15-3-5-17-42(40)49(43-18-6-4-16-41(43)48)50-51-44(38-13-7-9-19-46(38)53-51)30-45-39-14-8-10-20-47(39)54-52(45)50/h1-30H.

What are the key properties of 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene?

12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 686.81 g/mol, XLogP of 15.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[10-(6-naphthalen-2-ylnaphthalen-2-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 134487879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).