7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

C62H36O2 — CID 153303292

About 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene

7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (PubChem CID 153303292) has the molecular formula C62H36O2 and a molecular weight of 812.97 g/mol. Its IUPAC name is 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.

Molecular Properties

• Compound Name: 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
• PubChem CID: 153303292
• Molecular Formula: C62H36O2
• Molecular Weight: 812.97 g/mol
• Exact Mass: 812.27
• IUPAC Name: 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
• SMILES: c1cc(-c2ccc3c(c2)oc2cc4cc5oc6cc(-c7cccc(-c8cc9ccccc9c9ccccc89)c7)ccc6c5cc4cc23)cc(-c2cc3ccccc3c3ccccc23)c1
• InChI: InChI=1S/C62H36O2/c1-3-17-47-43(11-1)29-55(51-21-7-5-19-49(47)51)41-15-9-13-37(27-41)39-23-25-53-57-31-45-32-58-54-26-24-40(34-60(54)64-62(58)36-46(45)35-61(57)63-59(53)33-39)38-14-10-16-42(28-38)56-30-44-12-2-4-18-48(44)50-20-6-8-22-52(50)56/h1-36H
• InChIKey: YJVPETOUXHVDIQ-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.97
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?

The IUPAC name of 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene (CID 153303292) is 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene.

What is the SMILES notation for 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?

The canonical SMILES for 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is c1cc(-c2ccc3c(c2)oc2cc4cc5oc6cc(-c7cccc(-c8cc9ccccc9c9ccccc89)c7)ccc6c5cc4cc23)cc(-c2cc3ccccc3c3ccccc23)c1.

What is the InChIKey of 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?

The InChIKey is YJVPETOUXHVDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36O2/c1-3-17-47-43(11-1)29-55(51-21-7-5-19-49(47)51)41-15-9-13-37(27-41)39-23-25-53-57-31-45-32-58-54-26-24-40(34-60(54)64-62(58)36-46(45)35-61(57)63-59(53)33-39)38-14-10-16-42(28-38)56-30-44-12-2-4-18-48(44)50-20-6-8-22-52(50)56/h1-36H.

What are the key properties of 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene?

7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene has a molecular weight of 812.97 g/mol, XLogP of 17.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,19-bis(3-phenanthren-9-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene is sourced from PubChem (CID 153303292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).