2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine

C52H33N5 — CID 134253271

About 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine

2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine (PubChem CID 134253271) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine
• PubChem CID: 134253271
• Molecular Formula: C52H33N5
• Molecular Weight: 727.87 g/mol
• Exact Mass: 727.27
• IUPAC Name: 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine
• SMILES: C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(-c3nc(-c4cccc(-c5cccnc5)c4)nc(-c4cccc(-c5cccnc5)c4)n3)ccc12
• InChI: InChI=1S/C52H33N5/c1-4-20-45-34(11-1)23-24-35-12-2-5-21-46(35)52(45)47-22-6-3-19-43(47)44-31-40(25-26-48(44)52)51-56-49(38-15-7-13-36(29-38)41-17-9-27-53-32-41)55-50(57-51)39-16-8-14-37(30-39)42-18-10-28-54-33-42/h1-33H
• InChIKey: XVJBAGWULJGFHV-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.87
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine?

The IUPAC name of 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine (CID 134253271) is 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine.

What is the SMILES notation for 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine?

The canonical SMILES for 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine is C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(-c3nc(-c4cccc(-c5cccnc5)c4)nc(-c4cccc(-c5cccnc5)c4)n3)ccc12.

What is the InChIKey of 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine?

The InChIKey is XVJBAGWULJGFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-4-20-45-34(11-1)23-24-35-12-2-5-21-46(35)52(45)47-22-6-3-19-43(47)44-31-40(25-26-48(44)52)51-56-49(38-15-7-13-36(29-38)41-17-9-27-53-32-41)55-50(57-51)39-16-8-14-37(30-39)42-18-10-28-54-33-42/h1-33H.

What are the key properties of 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine?

2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine has a molecular weight of 727.87 g/mol, XLogP of 11.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine is sourced from PubChem (CID 134253271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).