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

C138H86F3N9 — CID 160878641

About 2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 160878641) has the molecular formula C138H86F3N9 and a molecular weight of 1927.26 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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 160878641
• Molecular Formula: C138H86F3N9
• Molecular Weight: 1927.26 g/mol
• Exact Mass: 1925.70
• 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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine
• SMILES: Fc1ccc2c(c1)C1(c3ccccc3C=C2)c2ccccc2-c2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc21.Fc1ccc2c(c1)C1(c3ccccc3C=C2)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.Fc1ccc2c(c1)C1(c3ccccc3C=C2)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
• InChI: InChI=1S/C54H34FN3.2C42H26FN3/c55-44-29-27-38-26-25-37-17-7-9-23-47(37)54(50(38)34-44)48-24-10-8-22-45(48)46-33-43(28-30-49(46)54)53-57-51(41-20-11-18-39(31-41)35-13-3-1-4-14-35)56-52(58-53)42-21-12-19-40(32-42)36-15-5-2-6-16-36;43-32-23-21-28-20-19-27-11-7-9-17-35(27)42(38(28)26-32)36-18-10-8-16-33(36)34-25-31(22-24-37(34)42)41-45-39(29-12-3-1-4-13-29)44-40(46-41)30-14-5-2-6-15-30;43-32-23-21-28-20-19-27-11-7-9-17-35(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/h1-34H;2*1-26H
• InChIKey: SMSSVRUITJMBCS-UHFFFAOYSA-N
• XLogP: 32.91
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1927.26
LogP ≤ 5	32.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 160878641) is 2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine is Fc1ccc2c(c1)C1(c3ccccc3C=C2)c2ccccc2-c2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc21.Fc1ccc2c(c1)C1(c3ccccc3C=C2)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine?

The InChIKey is SMSSVRUITJMBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34FN3.2C42H26FN3/c55-44-29-27-38-26-25-37-17-7-9-23-47(37)54(50(38)34-44)48-24-10-8-22-45(48)46-33-43(28-30-49(46)54)53-57-51(41-20-11-18-39(31-41)35-13-3-1-4-14-35)56-52(58-53)42-21-12-19-40(32-42)36-15-5-2-6-16-36;43-32-23-21-28-20-19-27-11-7-9-17-35(27)42(38(28)26-32)36-18-10-8-16-33(36)34-25-31(22-24-37(34)42)41-45-39(29-12-3-1-4-13-29)44-40(46-41)30-14-5-2-6-15-30;43-32-23-21-28-20-19-27-11-7-9-17-35(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/h1-34H;2*1-26H.

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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1927.26 g/mol, XLogP of 32.91, 11 rotatable bonds, 0 hydrogen bond donors, and 9 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]-3-yl)-4,6-bis(3-phenylphenyl)-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;2-(5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160878641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).