11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene

C52H30O2 — CID 90209334

About 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene

11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene (PubChem CID 90209334) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene
• PubChem CID: 90209334
• Molecular Formula: C52H30O2
• Molecular Weight: 686.81 g/mol
• Exact Mass: 686.22
• IUPAC Name: 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene
• SMILES: c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4c(oc5ccc6ccccc6c54)c4c3oc3ccccc34)c3ccccc23)c1
• InChI: InChI=1S/C52H30O2/c1-3-18-35-31(13-1)15-12-25-36(35)33-16-11-17-34(29-33)47-38-20-5-7-22-40(38)48(41-23-8-6-21-39(41)47)43-30-44-49-37-19-4-2-14-32(37)27-28-46(49)54-52(44)50-42-24-9-10-26-45(42)53-51(43)50/h1-30H
• InChIKey: XTBNICRVEKTCQU-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-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene?

The IUPAC name of 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene (CID 90209334) is 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene.

What is the SMILES notation for 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene?

The canonical SMILES for 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4c(oc5ccc6ccccc6c54)c4c3oc3ccccc34)c3ccccc23)c1.

What is the InChIKey of 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene?

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

What are the key properties of 11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene?

11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-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-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 90209334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).