16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

C56H32O2 — CID 130185452

About 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (PubChem CID 130185452) has the molecular formula C56H32O2 and a molecular weight of 736.87 g/mol. Its IUPAC name is 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• PubChem CID: 130185452
• Molecular Formula: C56H32O2
• Molecular Weight: 736.87 g/mol
• Exact Mass: 736.24
• IUPAC Name: 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• SMILES: c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6c7ccccc7cc7c6oc6ccc8oc9ccccc9c8c67)ccc5c4)c4ccccc34)cccc2c1
• InChI: InChI=1S/C56H32O2/c1-3-15-39-33(12-1)14-11-22-41(39)53-44-19-7-5-17-42(44)51(43-18-6-8-20-45(43)53)37-26-24-35-31-38(27-25-34(35)30-37)52-40-16-4-2-13-36(40)32-47-55-50(58-56(47)52)29-28-49-54(55)46-21-9-10-23-48(46)57-49/h1-32H
• InChIKey: OAHCIWLSUJWBFS-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.87
LogP ≤ 5	16.25
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 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The IUPAC name of 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (CID 130185452) is 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

What is the SMILES notation for 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The canonical SMILES for 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6c7ccccc7cc7c6oc6ccc8oc9ccccc9c8c67)ccc5c4)c4ccccc34)cccc2c1.

What is the InChIKey of 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The InChIKey is OAHCIWLSUJWBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O2/c1-3-15-39-33(12-1)14-11-22-41(39)53-44-19-7-5-17-42(44)51(43-18-6-8-20-45(43)53)37-26-24-35-31-38(27-25-34(35)30-37)52-40-16-4-2-13-36(40)32-47-55-50(58-56(47)52)29-28-49-54(55)46-21-9-10-23-48(46)57-49/h1-32H.

What are the key properties of 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene has a molecular weight of 736.87 g/mol, XLogP of 16.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 130185452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).