11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene

C52H30O2 — CID 130190252

About 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene

11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene (PubChem CID 130190252) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
• PubChem CID: 130190252
• Molecular Formula: C52H30O2
• Molecular Weight: 686.81 g/mol
• Exact Mass: 686.22
• IUPAC Name: 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cc6oc7c8ccccc8ccc7c6c6oc7ccccc7c56)ccc4c3)c3ccccc23)cc1
• InChI: InChI=1S/C52H30O2/c1-2-13-32(14-3-1)47-38-16-6-8-18-40(38)48(41-19-9-7-17-39(41)47)36-25-23-33-28-35(24-22-34(33)29-36)44-30-46-50(52-49(44)42-20-10-11-21-45(42)53-52)43-27-26-31-12-4-5-15-37(31)51(43)54-46/h1-30H
• InChIKey: QLSGVIPJHPNDLG-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 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?

The IUPAC name of 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene (CID 130190252) is 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene.

What is the SMILES notation for 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?

The canonical SMILES for 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cc6oc7c8ccccc8ccc7c6c6oc7ccccc7c56)ccc4c3)c3ccccc23)cc1.

What is the InChIKey of 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?

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

What are the key properties of 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene?

11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene 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 11-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 130190252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).