3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]

C62H38N2O2 — CID 147978360

About 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]

3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 147978360) has the molecular formula C62H38N2O2 and a molecular weight of 843.00 g/mol. Its IUPAC name is 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]
• PubChem CID: 147978360
• Molecular Formula: C62H38N2O2
• Molecular Weight: 843.00 g/mol
• Exact Mass: 842.29
• IUPAC Name: 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]
• SMILES: c1ccc(N2c3ccccc3C3(c4ccccc4-c4cc(-c5ccc(-c6c7ccccc7c(-c7ccc8c(c7)Oc7ccccc7O8)c7ccccc67)cn5)ccc43)c3ccccc32)cc1
• InChI: InChI=1S/C62H38N2O2/c1-2-16-42(17-3-1)64-54-26-12-10-24-51(54)62(52-25-11-13-27-55(52)64)49-23-9-8-18-43(49)48-36-39(30-33-50(48)62)53-34-31-41(38-63-53)61-46-21-6-4-19-44(46)60(45-20-5-7-22-47(45)61)40-32-35-58-59(37-40)66-57-29-15-14-28-56(57)65-58/h1-38H
• InChIKey: ISSQSPMYESOWQO-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 34.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.00
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The IUPAC name of 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 147978360) is 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene].

What is the SMILES notation for 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The canonical SMILES for 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(N2c3ccccc3C3(c4ccccc4-c4cc(-c5ccc(-c6c7ccccc7c(-c7ccc8c(c7)Oc7ccccc7O8)c7ccccc67)cn5)ccc43)c3ccccc32)cc1.

What is the InChIKey of 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]?

The InChIKey is ISSQSPMYESOWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2O2/c1-2-16-42(17-3-1)64-54-26-12-10-24-51(54)62(52-25-11-13-27-55(52)64)49-23-9-8-18-43(49)48-36-39(30-33-50(48)62)53-34-31-41(38-63-53)61-46-21-6-4-19-44(46)60(45-20-5-7-22-47(45)61)40-32-35-58-59(37-40)66-57-29-15-14-28-56(57)65-58/h1-38H.

What are the key properties of 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene]?

3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 843.00 g/mol, XLogP of 16.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[5-(10-dibenzo-p-dioxin-2-ylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 147978360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).