11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene

C42H24O2 — CID 122425864

About 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene

11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene (PubChem CID 122425864) has the molecular formula C42H24O2 and a molecular weight of 560.65 g/mol. Its IUPAC name is 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene.

Molecular Properties

• Compound Name: 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
• PubChem CID: 122425864
• Molecular Formula: C42H24O2
• Molecular Weight: 560.65 g/mol
• Exact Mass: 560.18
• IUPAC Name: 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
• SMILES: c1ccc2cc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5oc6ccccc6c45)c4ccccc34)ccc2c1
• InChI: InChI=1S/C42H24O2/c1-2-12-26-23-27(22-21-25(26)11-1)38-29-14-3-5-16-31(29)39(32-17-6-4-15-30(32)38)35-24-34-28-13-7-9-19-36(28)43-41(34)42-40(35)33-18-8-10-20-37(33)44-42/h1-24H
• InChIKey: NIBAMZPLMHPWLX-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 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene?

The IUPAC name of 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene (CID 122425864) is 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene.

What is the SMILES notation for 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene?

The canonical SMILES for 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene is c1ccc2cc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5oc6ccccc6c45)c4ccccc34)ccc2c1.

What is the InChIKey of 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene?

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

What are the key properties of 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene?

11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene 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 11-(10-naphthalen-2-ylanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene is sourced from PubChem (CID 122425864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).