2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene

C48H28O2 — CID 122426906

About 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene

2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene (PubChem CID 122426906) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene.

Molecular Properties

• Compound Name: 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
• PubChem CID: 122426906
• Molecular Formula: C48H28O2
• Molecular Weight: 636.75 g/mol
• Exact Mass: 636.21
• IUPAC Name: 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
• SMILES: c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5c6oc7ccccc7c6cc6oc7ccccc7c56)c5ccccc45)ccc3c2)cc1
• InChI: InChI=1S/C48H28O2/c1-2-12-29(13-3-1)30-22-23-32-27-33(25-24-31(32)26-30)44-35-15-4-6-17-37(35)45(38-18-7-5-16-36(38)44)47-46-39-19-9-11-21-42(39)49-43(46)28-40-34-14-8-10-20-41(34)50-48(40)47/h1-28H
• InChIKey: AXXBUBMVBPHOEJ-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.75
LogP ≤ 5	13.95
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 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene?

The IUPAC name of 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene (CID 122426906) is 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene.

What is the SMILES notation for 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene?

The canonical SMILES for 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene is c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5c6oc7ccccc7c6cc6oc7ccccc7c56)c5ccccc45)ccc3c2)cc1.

What is the InChIKey of 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene?

The InChIKey is AXXBUBMVBPHOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-2-12-29(13-3-1)30-22-23-32-27-33(25-24-31(32)26-30)44-35-15-4-6-17-37(35)45(38-18-7-5-16-36(38)44)47-46-39-19-9-11-21-42(39)49-43(46)28-40-34-14-8-10-20-41(34)50-48(40)47/h1-28H.

What are the key properties of 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene?

2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene has a molecular weight of 636.75 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene is sourced from PubChem (CID 122426906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).