16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene

C52H32O — CID 121450102

About 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene

16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene (PubChem CID 121450102) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
• PubChem CID: 121450102
• Molecular Formula: C52H32O
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.25
• IUPAC Name: 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
• SMILES: c1ccc(-c2ccc3c(c2)Oc2cccc4c2c-3c(-c2ccccc2)c2ccc(-c3ccc5cc(-c6cccc7ccccc67)ccc5c3)cc24)cc1
• InChI: InChI=1S/C52H32O/c1-3-11-33(12-4-1)40-26-28-46-49(32-40)53-48-20-10-19-44-47-31-39(25-27-45(47)50(52(46)51(44)48)35-14-5-2-6-15-35)37-21-22-38-30-41(24-23-36(38)29-37)43-18-9-16-34-13-7-8-17-42(34)43/h1-32H
• InChIKey: ZCTHHUCYCBQHIA-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?

The IUPAC name of 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene (CID 121450102) is 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene.

What is the SMILES notation for 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?

The canonical SMILES for 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene is c1ccc(-c2ccc3c(c2)Oc2cccc4c2c-3c(-c2ccccc2)c2ccc(-c3ccc5cc(-c6cccc7ccccc67)ccc5c3)cc24)cc1.

What is the InChIKey of 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?

The InChIKey is ZCTHHUCYCBQHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-3-11-33(12-4-1)40-26-28-46-49(32-40)53-48-20-10-19-44-47-31-39(25-27-45(47)50(52(46)51(44)48)35-14-5-2-6-15-35)37-21-22-38-30-41(24-23-36(38)29-37)43-18-9-16-34-13-7-8-17-42(34)43/h1-32H.

What are the key properties of 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?

16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene has a molecular weight of 672.83 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 16-(6-naphthalen-1-ylnaphthalen-2-yl)-5,20-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene is sourced from PubChem (CID 121450102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).