2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine

C94H73N9 — CID 166923469

About 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine

2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine (PubChem CID 166923469) has the molecular formula C94H73N9 and a molecular weight of 1328.68 g/mol. Its IUPAC name is 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine
• PubChem CID: 166923469
• Molecular Formula: C94H73N9
• Molecular Weight: 1328.68 g/mol
• Exact Mass: 1327.60
• IUPAC Name: 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine
• SMILES: C=C/C(=C\C=C/CCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21)c1nc(-c2ccccc2)nc(-c2ccc3c(c2)C(C)(C)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)n1
• InChI: InChI=1S/C94H73N9/c1-9-57(82-95-83(58-29-14-10-15-30-58)98-86(96-82)63-43-48-71-72-49-44-64(55-80(72)93(6,7)79(71)54-63)87-99-84(59-31-16-11-17-32-59)97-85(100-87)60-33-18-12-19-34-60)28-20-13-27-51-94(8)76-40-26-23-37-68(76)73-50-45-65(56-81(73)94)90-102-88(61-41-46-69-66-35-21-24-38-74(66)91(2,3)77(69)52-61)101-89(103-90)62-42-47-70-67-36-22-25-39-75(67)92(4,5)78(70)53-62/h9-26,28-50,52-56H,1,27,51H2,2-8H3/b20-13-,57-28+
• InChIKey: GEPLJLQGRXPAQL-SVJHFYAVSA-N
• XLogP: 22.39
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1328.68
LogP ≤ 5	22.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine?

The IUPAC name of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine (CID 166923469) is 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine.

What is the SMILES notation for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine?

The canonical SMILES for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine is C=C/C(=C\C=C/CCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)n3)cc21)c1nc(-c2ccccc2)nc(-c2ccc3c(c2)C(C)(C)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)n1.

What is the InChIKey of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine?

The InChIKey is GEPLJLQGRXPAQL-SVJHFYAVSA-N. The full InChI is InChI=1S/C94H73N9/c1-9-57(82-95-83(58-29-14-10-15-30-58)98-86(96-82)63-43-48-71-72-49-44-64(55-80(72)93(6,7)79(71)54-63)87-99-84(59-31-16-11-17-32-59)97-85(100-87)60-33-18-12-19-34-60)28-20-13-27-51-94(8)76-40-26-23-37-68(76)73-50-45-65(56-81(73)94)90-102-88(61-41-46-69-66-35-21-24-38-74(66)91(2,3)77(69)52-61)101-89(103-90)62-42-47-70-67-36-22-25-39-75(67)92(4,5)78(70)53-62/h9-26,28-50,52-56H,1,27,51H2,2-8H3/b20-13-,57-28+.

What are the key properties of 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine?

2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine has a molecular weight of 1328.68 g/mol, XLogP of 22.39, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(9,9-dimethylfluoren-2-yl)-6-[9-[(3Z,5E)-6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]-6-phenyl-1,3,5-triazin-2-yl]octa-3,5,7-trienyl]-9-methylfluoren-2-yl]-1,3,5-triazine is sourced from PubChem (CID 166923469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).