2-naphthalen-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

C56H31N3O2 — CID 164720920

About 2-naphthalen-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-naphthalen-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 164720920) has the molecular formula C56H31N3O2 and a molecular weight of 777.88 g/mol. Its IUPAC name is 2-naphthalen-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-naphthalen-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: 164720920
• Molecular Formula: C56H31N3O2
• Molecular Weight: 777.88 g/mol
• Exact Mass: 777.24
• IUPAC Name: 2-naphthalen-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: c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5c(c34)C3(c4ccccc4-c4ccccc43)c3cc4oc6ccccc6c4cc3-5)nc(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C56H31N3O2/c1-2-14-33(15-3-1)53-57-54(59-55(58-53)40-21-12-16-32-13-4-5-17-35(32)40)34-25-26-41-49(29-34)61-48-28-27-39-42-30-43-38-20-8-11-24-47(38)60-50(43)31-46(42)56(52(39)51(41)48)44-22-9-6-18-36(44)37-19-7-10-23-45(37)56/h1-31H
• InChIKey: XORYADMQLTXFSO-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.88
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-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-naphthalen-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 164720920) is 2-naphthalen-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-naphthalen-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-naphthalen-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 c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5c(c34)C3(c4ccccc4-c4ccccc43)c3cc4oc6ccccc6c4cc3-5)nc(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 2-naphthalen-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 XORYADMQLTXFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H31N3O2/c1-2-14-33(15-3-1)53-57-54(59-55(58-53)40-21-12-16-32-13-4-5-17-35(32)40)34-25-26-41-49(29-34)61-48-28-27-39-42-30-43-38-20-8-11-24-47(38)60-50(43)31-46(42)56(52(39)51(41)48)44-22-9-6-18-36(44)37-19-7-10-23-45(37)56/h1-31H.

What are the key properties of 2-naphthalen-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-naphthalen-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 777.88 g/mol, XLogP of 14.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-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 164720920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).