5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C48H30N2 — CID 90307244

About 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 90307244) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 90307244
• Molecular Formula: C48H30N2
• Molecular Weight: 634.78 g/mol
• Exact Mass: 634.24
• IUPAC Name: 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: c1ccc(-c2cc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C53c4ccccc4-c4ccccc43)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C48H30N2/c1-3-14-31(15-4-1)43-29-34(30-44(49-43)32-16-5-2-6-17-32)33-26-27-45-38(28-33)37-20-13-24-42-47(37)50(45)46-25-12-11-23-41(46)48(42)39-21-9-7-18-35(39)36-19-8-10-22-40(36)48/h1-30H
• InChIKey: QYRXVRBJJDXVRT-UHFFFAOYSA-N
• XLogP: 11.86
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.78
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 90307244) is 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is c1ccc(-c2cc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3C53c4ccccc4-c4ccccc43)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The InChIKey is QYRXVRBJJDXVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-3-14-31(15-4-1)43-29-34(30-44(49-43)32-16-5-2-6-17-32)33-26-27-45-38(28-33)37-20-13-24-42-47(37)50(45)46-25-12-11-23-41(46)48(42)39-21-9-7-18-35(39)36-19-8-10-22-40(36)48/h1-30H.

What are the key properties of 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 634.78 g/mol, XLogP of 11.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 90307244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).