2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine

C67H41N3O2 — CID 164720982

About 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine (PubChem CID 164720982) has the molecular formula C67H41N3O2 and a molecular weight of 920.08 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine
• PubChem CID: 164720982
• Molecular Formula: C67H41N3O2
• Molecular Weight: 920.08 g/mol
• Exact Mass: 919.32
• IUPAC Name: 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6oc7ccc8c(c7c6c5)C5(c6ccccc6-c6ccccc65)c5cc6oc7ccccc7c6cc5-8)c4)n3)cc21
• InChI: InChI=1S/C67H41N3O2/c1-66(2)52-23-10-6-19-43(52)46-29-27-42(35-55(46)66)65-69-63(38-15-4-3-5-16-38)68-64(70-65)41-18-14-17-39(33-41)40-28-31-58-51(34-40)61-59(71-58)32-30-48-49-36-50-47-22-9-13-26-57(47)72-60(50)37-56(49)67(62(48)61)53-24-11-7-20-44(53)45-21-8-12-25-54(45)67/h3-37H,1-2H3
• InChIKey: RXSQOGPUCYFBMO-UHFFFAOYSA-N
• XLogP: 16.99
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.08
LogP ≤ 5	16.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine (CID 164720982) is 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6oc7ccc8c(c7c6c5)C5(c6ccccc6-c6ccccc65)c5cc6oc7ccccc7c6cc5-8)c4)n3)cc21.

What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine?

The InChIKey is RXSQOGPUCYFBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N3O2/c1-66(2)52-23-10-6-19-43(52)46-29-27-42(35-55(46)66)65-69-63(38-15-4-3-5-16-38)68-64(70-65)41-18-14-17-39(33-41)40-28-31-58-51(34-40)61-59(71-58)32-30-48-49-36-50-47-22-9-13-26-57(47)72-60(50)37-56(49)67(62(48)61)53-24-11-7-20-44(53)45-21-8-12-25-54(45)67/h3-37H,1-2H3.

What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine?

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine has a molecular weight of 920.08 g/mol, XLogP of 16.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(3-spiro[11,24-dioxaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene-15,9'-fluorene]-20-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164720982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).