4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine

C50H31N3 — CID 134574240

About 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine

4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine (PubChem CID 134574240) has the molecular formula C50H31N3 and a molecular weight of 673.82 g/mol. Its IUPAC name is 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine.

Molecular Properties

• Compound Name: 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
• PubChem CID: 134574240
• Molecular Formula: C50H31N3
• Molecular Weight: 673.82 g/mol
• Exact Mass: 673.25
• IUPAC Name: 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
• SMILES: c1ccc(-c2cc(-c3cccnc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3ccccc43)n2)cc1
• InChI: InChI=1S/C50H31N3/c1-2-14-33(15-3-1)46-30-47(35-16-12-28-51-31-35)53-49(52-46)34-24-26-40-38-19-7-6-18-37(38)39-20-8-10-22-42(39)50(45(40)29-34)43-23-11-9-21-41(43)48-36-17-5-4-13-32(36)25-27-44(48)50/h1-31H
• InChIKey: UGBVJEQDCQXDGM-UHFFFAOYSA-N
• XLogP: 12.04
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.82
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?

The IUPAC name of 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine (CID 134574240) is 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine.

What is the SMILES notation for 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?

The canonical SMILES for 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine is c1ccc(-c2cc(-c3cccnc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3ccccc43)n2)cc1.

What is the InChIKey of 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?

The InChIKey is UGBVJEQDCQXDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3/c1-2-14-33(15-3-1)46-30-47(35-16-12-28-51-31-35)53-49(52-46)34-24-26-40-38-19-7-6-18-37(38)39-20-8-10-22-42(39)50(45(40)29-34)43-23-11-9-21-41(43)48-36-17-5-4-13-32(36)25-27-44(48)50/h1-31H.

What are the key properties of 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine?

4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine has a molecular weight of 673.82 g/mol, XLogP of 12.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine is sourced from PubChem (CID 134574240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).