2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine

C56H35N5 — CID 153287700

About 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine

2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine (PubChem CID 153287700) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
• PubChem CID: 153287700
• Molecular Formula: C56H35N5
• Molecular Weight: 777.93 g/mol
• Exact Mass: 777.29
• IUPAC Name: 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
• SMILES: c1cncc(-c2cccc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-c6ccccc64)c4ccccc4-5)n3)c2)c1
• InChI: InChI=1S/C56H35N5/c1-2-18-44-43(17-1)45-19-3-6-22-49(45)56(50-23-7-4-20-46(44)50)51-24-8-5-21-47(51)48-26-25-41(34-52(48)56)55-60-53(39-14-9-12-37(32-39)36-27-30-57-31-28-36)59-54(61-55)40-15-10-13-38(33-40)42-16-11-29-58-35-42/h1-35H
• InChIKey: RHNCBWRTTIZCLE-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.93
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine?

The IUPAC name of 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine (CID 153287700) is 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine.

What is the SMILES notation for 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine?

The canonical SMILES for 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine is c1cncc(-c2cccc(-c3nc(-c4cccc(-c5ccncc5)c4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-c6ccccc64)c4ccccc4-5)n3)c2)c1.

What is the InChIKey of 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine?

The InChIKey is RHNCBWRTTIZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-2-18-44-43(17-1)45-19-3-6-22-49(45)56(50-23-7-4-20-46(44)50)51-24-8-5-21-47(51)48-26-25-41(34-52(48)56)55-60-53(39-14-9-12-37(32-39)36-27-30-57-31-28-36)59-54(61-55)40-15-10-13-38(33-40)42-16-11-29-58-35-42/h1-35H.

What are the key properties of 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine?

2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine has a molecular weight of 777.93 g/mol, XLogP of 13.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine is sourced from PubChem (CID 153287700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).