3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C60H36N2O — CID 142481462

About 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 142481462) has the molecular formula C60H36N2O and a molecular weight of 800.96 g/mol. Its IUPAC name is 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 142481462
• Molecular Formula: C60H36N2O
• Molecular Weight: 800.96 g/mol
• Exact Mass: 800.28
• IUPAC Name: 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5ccc6oc7ccccc7c6c5)ccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1
• InChI: InChI=1S/C60H36N2O/c1-3-15-37(16-4-1)41-35-52(38-17-5-2-6-18-38)61-53(36-41)45-22-14-24-50-58(45)47-34-39(40-30-32-57-46(33-40)43-20-8-12-28-56(43)63-57)29-31-48(47)60(50)49-23-9-11-27-55(49)62-54-26-10-7-19-42(54)44-21-13-25-51(60)59(44)62/h1-36H
• InChIKey: OCFRMGWVVNNVHA-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 30.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.96
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 142481462) is 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3cc(-c5ccc6oc7ccccc7c6c5)ccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc1.

What is the InChIKey of 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The InChIKey is OCFRMGWVVNNVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O/c1-3-15-37(16-4-1)41-35-52(38-17-5-2-6-18-38)61-53(36-41)45-22-14-24-50-58(45)47-34-39(40-30-32-57-46(33-40)43-20-8-12-28-56(43)63-57)29-31-48(47)60(50)49-23-9-11-27-55(49)62-54-26-10-7-19-42(54)44-21-13-25-51(60)59(44)62/h1-36H.

What are the key properties of 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 800.96 g/mol, XLogP of 15.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 142481462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).