19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene

C52H30O2 — CID 130190242

About 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene

19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene (PubChem CID 130190242) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene.

Molecular Properties

• Compound Name: 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
• PubChem CID: 130190242
• Molecular Formula: C52H30O2
• Molecular Weight: 686.81 g/mol
• Exact Mass: 686.22
• IUPAC Name: 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6oc7c(ccc8c7oc7ccc9ccccc9c78)c6c5)ccc4c3)c3ccccc23)cc1
• InChI: InChI=1S/C52H30O2/c1-2-11-32(12-3-1)48-39-14-6-8-16-41(39)49(42-17-9-7-15-40(42)48)37-21-20-33-28-34(18-19-35(33)29-37)36-23-26-46-45(30-36)43-24-25-44-50-38-13-5-4-10-31(38)22-27-47(50)54-52(44)51(43)53-46/h1-30H
• InChIKey: YBYNWYFPTIMZTF-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 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene?

The IUPAC name of 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene (CID 130190242) is 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene.

What is the SMILES notation for 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene?

The canonical SMILES for 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6oc7c(ccc8c7oc7ccc9ccccc9c78)c6c5)ccc4c3)c3ccccc23)cc1.

What is the InChIKey of 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene?

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

What are the key properties of 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene?

19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-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 19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 130190242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).