7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

C52H30O2 — CID 122629554

About 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (PubChem CID 122629554) has the molecular formula C52H30O2 and a molecular weight of 686.81 g/mol. Its IUPAC name is 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.

Molecular Properties

• Compound Name: 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
• PubChem CID: 122629554
• Molecular Formula: C52H30O2
• Molecular Weight: 686.81 g/mol
• Exact Mass: 686.22
• IUPAC Name: 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
• SMILES: c1ccc(-c2ccc3oc4ccc(-c5ccc6oc7ccc(-c8ccccc8)c8cccc(c9cccc5c69)c78)c5cccc(c6cccc2c36)c45)cc1
• InChI: InChI=1S/C52H30O2/c1-3-11-31(12-4-1)33-23-27-45-49-37(33)15-7-19-41(49)43-21-9-17-39-35(25-29-47(53-45)51(39)43)36-26-30-48-52-40(36)18-10-22-44(52)42-20-8-16-38-34(32-13-5-2-6-14-32)24-28-46(54-48)50(38)42/h1-30H
• InChIKey: WINONSBKNCLZNR-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

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

The IUPAC name of 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (CID 122629554) is 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.

What is the SMILES notation for 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

The canonical SMILES for 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is c1ccc(-c2ccc3oc4ccc(-c5ccc6oc7ccc(-c8ccccc8)c8cccc(c9cccc5c69)c78)c5cccc(c6cccc2c36)c45)cc1.

What is the InChIKey of 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

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

What are the key properties of 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?

7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene 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 7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is sourced from PubChem (CID 122629554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).