2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine

C61H37N3O2 — CID 164720943

About 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine

2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine (PubChem CID 164720943) has the molecular formula C61H37N3O2 and a molecular weight of 843.99 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine
• PubChem CID: 164720943
• Molecular Formula: C61H37N3O2
• Molecular Weight: 843.99 g/mol
• Exact Mass: 843.29
• IUPAC Name: 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc6c(c45)C4(c5ccccc5-c5ccccc54)c4cc5oc7ccccc7c5cc4-6)n3)c21
• InChI: InChI=1S/C61H37N3O2/c1-60(2)46-23-10-6-19-38(46)40-21-14-22-43(55(40)60)59-63-57(34-15-4-3-5-16-34)62-58(64-59)35-27-28-42-52(31-35)66-51-30-29-41-44-32-45-39-20-9-13-26-50(39)65-53(45)33-49(44)61(56(41)54(42)51)47-24-11-7-17-36(47)37-18-8-12-25-48(37)61/h3-33H,1-2H3
• InChIKey: JKRPRPUJBIDJCT-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.99
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine?

The IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine (CID 164720943) is 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine.

What is the SMILES notation for 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine?

The canonical SMILES for 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc6c(c45)C4(c5ccccc5-c5ccccc54)c4cc5oc7ccccc7c5cc4-6)n3)c21.

What is the InChIKey of 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine?

The InChIKey is JKRPRPUJBIDJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O2/c1-60(2)46-23-10-6-19-38(46)40-21-14-22-43(55(40)60)59-63-57(34-15-4-3-5-16-34)62-58(64-59)35-27-28-42-52(31-35)66-51-30-29-41-44-32-45-39-20-9-13-26-50(39)65-53(45)33-49(44)61(56(41)54(42)51)47-24-11-7-17-36(47)37-18-8-12-25-48(37)61/h3-33H,1-2H3.

What are the key properties of 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine?

2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine has a molecular weight of 843.99 g/mol, XLogP of 15.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-1-yl)-4-phenyl-6-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]-21-yl-1,3,5-triazine is sourced from PubChem (CID 164720943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).