2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine

C56H35N5O — CID 134571377

About 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine

2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine (PubChem CID 134571377) has the molecular formula C56H35N5O and a molecular weight of 793.93 g/mol. Its IUPAC name is 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
• PubChem CID: 134571377
• Molecular Formula: C56H35N5O
• Molecular Weight: 793.93 g/mol
• Exact Mass: 793.28
• IUPAC Name: 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
• SMILES: c1cncc(-c2cccc(-c3nc(-c4cccc(-c5cccnc5)c4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-c4ccccc4-5)n3)c2)c1
• InChI: InChI=1S/C56H35N5O/c1-2-20-44-43(19-1)45-21-3-4-22-47(45)56(48-23-5-7-25-51(48)62-52-26-8-6-24-49(52)56)50-33-40(27-28-46(44)50)55-60-53(38-15-9-13-36(31-38)41-17-11-29-57-34-41)59-54(61-55)39-16-10-14-37(32-39)42-18-12-30-58-35-42/h1-35H
• InChIKey: XXINBNKLCRSNRF-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 73.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.93
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine?

The IUPAC name of 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine (CID 134571377) is 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine.

What is the SMILES notation for 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine?

The canonical SMILES for 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine is c1cncc(-c2cccc(-c3nc(-c4cccc(-c5cccnc5)c4)nc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-c4ccccc4-5)n3)c2)c1.

What is the InChIKey of 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine?

The InChIKey is XXINBNKLCRSNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O/c1-2-20-44-43(19-1)45-21-3-4-22-47(45)56(48-23-5-7-25-51(48)62-52-26-8-6-24-49(52)56)50-33-40(27-28-46(44)50)55-60-53(38-15-9-13-36(31-38)41-17-11-29-57-34-41)59-54(61-55)39-16-10-14-37(32-39)42-18-12-30-58-35-42/h1-35H.

What are the key properties of 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine?

2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine has a molecular weight of 793.93 g/mol, XLogP of 13.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine is sourced from PubChem (CID 134571377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).