5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene

C52H30O2 — CID 130190186

About 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene

5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene (PubChem CID 130190186) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
• PubChem CID: 130190186
• Molecular Formula: C52H30O2
• Molecular Weight: 686.81 g/mol
• Exact Mass: 686.22
• IUPAC Name: 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccc8oc9c%10ccccc%10ccc9c8c7c6c5)cc4)c4ccccc34)ccc2c1
• InChI: InChI=1S/C52H30O2/c1-2-11-35-29-37(22-19-31(35)9-1)49-41-15-7-5-13-39(41)48(40-14-6-8-16-42(40)49)34-20-17-32(18-21-34)36-24-26-45-44(30-36)51-46(53-45)27-28-47-50(51)43-25-23-33-10-3-4-12-38(33)52(43)54-47/h1-30H
• InChIKey: GXRYZKLCCSZIMW-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 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?

The IUPAC name of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene (CID 130190186) is 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene.

What is the SMILES notation for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?

The canonical SMILES for 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene is c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6oc7ccc8oc9c%10ccccc%10ccc9c8c7c6c5)cc4)c4ccccc34)ccc2c1.

What is the InChIKey of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?

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

What are the key properties of 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?

5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(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 5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 130190186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).