2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine

C45H28N4 — CID 130260858

About 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine

2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine (PubChem CID 130260858) has the molecular formula C45H28N4 and a molecular weight of 624.75 g/mol. Its IUPAC name is 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine.

Molecular Properties

• Compound Name: 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
• PubChem CID: 130260858
• Molecular Formula: C45H28N4
• Molecular Weight: 624.75 g/mol
• Exact Mass: 624.23
• IUPAC Name: 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
• SMILES: c1cncc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3cccnc3)n2)c1
• InChI: InChI=1S/C45H28N4/c1-2-14-33-32(13-1)34-15-3-6-18-38(34)45(39-19-7-4-16-35(39)36-17-5-8-20-40(36)45)41-22-21-29(25-37(33)41)42-26-43(30-11-9-23-46-27-30)49-44(48-42)31-12-10-24-47-28-31/h1-28H
• InChIKey: UCLZTTVHJWYWKM-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.75
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?

The IUPAC name of 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine (CID 130260858) is 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine.

What is the SMILES notation for 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?

The canonical SMILES for 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine is c1cncc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3cccnc3)n2)c1.

What is the InChIKey of 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?

The InChIKey is UCLZTTVHJWYWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4/c1-2-14-33-32(13-1)34-15-3-6-18-38(34)45(39-19-7-4-16-35(39)36-17-5-8-20-40(36)45)41-22-21-29(25-37(33)41)42-26-43(30-11-9-23-46-27-30)49-44(48-42)31-12-10-24-47-28-31/h1-28H.

What are the key properties of 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine?

2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine has a molecular weight of 624.75 g/mol, XLogP of 10.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dipyridin-3-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine is sourced from PubChem (CID 130260858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).