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

C54H35N3 — CID 134253240

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

2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine (PubChem CID 134253240) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine
• PubChem CID: 134253240
• Molecular Formula: C54H35N3
• Molecular Weight: 725.90 g/mol
• Exact Mass: 725.28
• IUPAC Name: 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine
• SMILES: C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc12
• InChI: InChI=1S/C54H35N3/c1-4-16-36(17-5-1)42-32-43(37-18-6-2-7-19-37)34-44(33-42)53-56-51(40-22-8-3-9-23-40)55-52(57-53)41-30-31-46-45-24-12-15-27-49(45)54(50(46)35-41)47-25-13-10-20-38(47)28-29-39-21-11-14-26-48(39)54/h1-35H
• InChIKey: NYRKQZCRJNPOJR-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.90
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine (CID 134253240) is 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine.

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

The canonical SMILES for 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine is C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc12.

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

The InChIKey is NYRKQZCRJNPOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-16-36(17-5-1)42-32-43(37-18-6-2-7-19-37)34-44(33-42)53-56-51(40-22-8-3-9-23-40)55-52(57-53)41-30-31-46-45-24-12-15-27-49(45)54(50(46)35-41)47-25-13-10-20-38(47)28-29-39-21-11-14-26-48(39)54/h1-35H.

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

2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine has a molecular weight of 725.90 g/mol, XLogP of 13.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yl-1,3,5-triazine is sourced from PubChem (CID 134253240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).