2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine

C56H35N5 — CID 130261410

About 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine

2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine (PubChem CID 130261410) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine
• PubChem CID: 130261410
• Molecular Formula: C56H35N5
• Molecular Weight: 777.93 g/mol
• Exact Mass: 777.29
• IUPAC Name: 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine
• SMILES: c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5ccccc54)n3)cc2)c1
• InChI: InChI=1S/C56H35N5/c1-2-14-44-43(13-1)45-15-3-6-18-49(45)56(50-19-7-4-16-46(50)47-17-5-8-20-51(47)56)52-33-40(29-30-48(44)52)55-60-53(38-25-21-36(22-26-38)41-11-9-31-57-34-41)59-54(61-55)39-27-23-37(24-28-39)42-12-10-32-58-35-42/h1-35H
• InChIKey: RRFNGWVZFYGWMD-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 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine?

The IUPAC name of 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine (CID 130261410) is 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine.

What is the SMILES notation for 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine?

The canonical SMILES for 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine is c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5ccccc54)n3)cc2)c1.

What is the InChIKey of 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine?

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

What are the key properties of 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine?

2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-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 2,4-bis(4-pyridin-3-ylphenyl)-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]-11'-yl-1,3,5-triazine is sourced from PubChem (CID 130261410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).