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

C42H26FN3 — CID 134253350

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

2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 134253350) has the molecular formula C42H26FN3 and a molecular weight of 591.69 g/mol. Its IUPAC name is 2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 134253350
• Molecular Formula: C42H26FN3
• Molecular Weight: 591.69 g/mol
• Exact Mass: 591.21
• IUPAC Name: 2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine
• SMILES: Fc1ccc2c(c1)C1(c3ccccc3C=C2)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C42H26FN3/c43-32-23-21-28-20-19-27-11-7-9-17-35(27)42(37(28)26-32)36-18-10-8-16-33(36)34-24-22-31(25-38(34)42)41-45-39(29-12-3-1-4-13-29)44-40(46-41)30-14-5-2-6-15-30/h1-26H
• InChIKey: AOPRLSDNDDNUNN-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.69
LogP ≤ 5	9.86
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-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 134253350) is 2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine.

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

The canonical SMILES for 2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine is Fc1ccc2c(c1)C1(c3ccccc3C=C2)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.

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

The InChIKey is AOPRLSDNDDNUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26FN3/c43-32-23-21-28-20-19-27-11-7-9-17-35(27)42(37(28)26-32)36-18-10-8-16-33(36)34-24-22-31(25-38(34)42)41-45-39(29-12-3-1-4-13-29)44-40(46-41)30-14-5-2-6-15-30/h1-26H.

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

2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 591.69 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134253350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).