15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene

C47H23N5O — CID 163647003

About 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene

15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene (PubChem CID 163647003) has the molecular formula C47H23N5O and a molecular weight of 673.74 g/mol. Its IUPAC name is 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene.

Molecular Properties

• Compound Name: 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
• PubChem CID: 163647003
• Molecular Formula: C47H23N5O
• Molecular Weight: 673.74 g/mol
• Exact Mass: 673.19
• IUPAC Name: 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccc5ccc6ccc7c8cccc9c%10ccc3c3c4c5c6c7n(c89)c%103)n2)cc1
• InChI: InChI=1S/C47H23N5O/c1-2-7-26(8-3-1)45-48-46(27-16-18-29-28-9-4-5-12-36(28)53-37(29)23-27)50-47(49-45)51-34-21-17-24-13-14-25-15-19-32-30-10-6-11-31-33-20-22-35(51)41-40(34)38(24)39(25)43(32)52(42(30)31)44(33)41/h1-23H
• InChIKey: IJBYVHINZXLGSX-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 61.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.74
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene?

The IUPAC name of 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene (CID 163647003) is 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene.

What is the SMILES notation for 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene?

The canonical SMILES for 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccc5ccc6ccc7c8cccc9c%10ccc3c3c4c5c6c7n(c89)c%103)n2)cc1.

What is the InChIKey of 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene?

The InChIKey is IJBYVHINZXLGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H23N5O/c1-2-7-26(8-3-1)45-48-46(27-16-18-29-28-9-4-5-12-36(28)53-37(29)23-27)50-47(49-45)51-34-21-17-24-13-14-25-15-19-32-30-10-6-11-31-33-20-22-35(51)41-40(34)38(24)39(25)43(32)52(42(30)31)44(33)41/h1-23H.

What are the key properties of 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene?

15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene has a molecular weight of 673.74 g/mol, XLogP of 11.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,15-diazanonacyclo[14.12.0.02,14.03,11.04,26.05,10.06,25.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene is sourced from PubChem (CID 163647003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).