2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine

C58H35N3 — CID 137493485

About 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine

2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine (PubChem CID 137493485) has the molecular formula C58H35N3 and a molecular weight of 773.94 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine
• PubChem CID: 137493485
• Molecular Formula: C58H35N3
• Molecular Weight: 773.94 g/mol
• Exact Mass: 773.28
• IUPAC Name: 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4c-6c5ccccc5c5ccccc45)c3)n2)cc1
• InChI: InChI=1S/C58H35N3/c1-3-16-36(17-4-1)55-59-56(37-18-5-2-6-19-37)61-57(60-55)41-21-15-20-38(32-41)39-30-31-40-34-49-52(35-42(40)33-39)58(50-28-13-11-24-45(50)46-25-12-14-29-51(46)58)54-48-27-10-8-23-44(48)43-22-7-9-26-47(43)53(49)54/h1-35H
• InChIKey: XGNLTBMRZZAZAV-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.94
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine (CID 137493485) is 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cc6c(cc5c4)C4(c5ccccc5-c5ccccc54)c4c-6c5ccccc5c5ccccc45)c3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine?

The InChIKey is XGNLTBMRZZAZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3/c1-3-16-36(17-4-1)55-59-56(37-18-5-2-6-19-37)61-57(60-55)41-21-15-20-38(32-41)39-30-31-40-34-49-52(35-42(40)33-39)58(50-28-13-11-24-45(50)46-25-12-14-29-51(46)58)54-48-27-10-8-23-44(48)43-22-7-9-26-47(43)53(49)54/h1-35H.

What are the key properties of 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine?

2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine has a molecular weight of 773.94 g/mol, XLogP of 14.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 137493485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).