11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C52H30O2 — CID 130190182

About 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 130190182) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• PubChem CID: 130190182
• Molecular Formula: C52H30O2
• Molecular Weight: 686.81 g/mol
• Exact Mass: 686.22
• IUPAC Name: 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• SMILES: c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-c2cc3oc4ccc5ccccc5c4c3c3c2oc2ccccc23)c1
• InChI: InChI=1S/C52H30O2/c1-3-18-35-31(13-1)15-12-25-37(35)48-40-22-7-5-20-38(40)47(39-21-6-8-23-41(39)48)34-17-11-16-33(29-34)43-30-46-51(50-42-24-9-10-26-44(42)54-52(43)50)49-36-19-4-2-14-32(36)27-28-45(49)53-46/h1-30H
• InChIKey: WIDMRTUBIHUISN-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-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The IUPAC name of 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 130190182) is 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

What is the SMILES notation for 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The canonical SMILES for 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-c2cc3oc4ccc5ccccc5c4c3c3c2oc2ccccc23)c1.

What is the InChIKey of 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

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

What are the key properties of 11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(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-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 130190182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).