6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene

C42H24O2 — CID 130212286

About 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene

6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene (PubChem CID 130212286) has the molecular formula C42H24O2 and a molecular weight of 560.65 g/mol. Its IUPAC name is 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene.

Molecular Properties

• Compound Name: 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
• PubChem CID: 130212286
• Molecular Formula: C42H24O2
• Molecular Weight: 560.65 g/mol
• Exact Mass: 560.18
• IUPAC Name: 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc5c(ccc6oc7ccccc7c65)c34)c3ccccc23)cc1
• InChI: InChI=1S/C42H24O2/c1-2-10-25(11-3-1)39-27-12-4-6-14-29(27)40(30-15-7-5-13-28(30)39)26-18-19-34-38(24-26)44-37-23-21-31-32(42(34)37)20-22-36-41(31)33-16-8-9-17-35(33)43-36/h1-24H
• InChIKey: INISCWOLCKQFOP-UHFFFAOYSA-N
• XLogP: 12.28
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.65
LogP ≤ 5	12.28
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 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene?

The IUPAC name of 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene (CID 130212286) is 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene.

What is the SMILES notation for 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene?

The canonical SMILES for 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccc5c(ccc6oc7ccccc7c65)c34)c3ccccc23)cc1.

What is the InChIKey of 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene?

The InChIKey is INISCWOLCKQFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O2/c1-2-10-25(11-3-1)39-27-12-4-6-14-29(27)40(30-15-7-5-13-28(30)39)26-18-19-34-38(24-26)44-37-23-21-31-32(42(34)37)20-22-36-41(31)33-16-8-9-17-35(33)43-36/h1-24H.

What are the key properties of 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene?

6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene has a molecular weight of 560.65 g/mol, XLogP of 12.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene is sourced from PubChem (CID 130212286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).