10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

C53H31N5O — CID 135166022

About 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene (PubChem CID 135166022) has the molecular formula C53H31N5O and a molecular weight of 753.86 g/mol. Its IUPAC name is 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene.

Molecular Properties

• Compound Name: 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
• PubChem CID: 135166022
• Molecular Formula: C53H31N5O
• Molecular Weight: 753.86 g/mol
• Exact Mass: 753.25
• IUPAC Name: 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
• SMILES: c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4c5c6c7ccccc7c7ccccc7c6n(-c6ccccc6)c5ccc43)n2)cc1
• InChI: InChI=1S/C53H31N5O/c1-3-15-32(16-4-1)51-54-52(33-27-28-38-37-21-12-14-26-45(37)59-46(38)31-33)56-53(55-51)58-42-25-13-11-24-41(42)47-43(58)29-30-44-49(47)48-39-22-9-7-19-35(39)36-20-8-10-23-40(36)50(48)57(44)34-17-5-2-6-18-34/h1-31H
• InChIKey: XULRWQLHCYOGME-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.86
LogP ≤ 5	13.61
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 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?

The IUPAC name of 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene (CID 135166022) is 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene.

What is the SMILES notation for 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?

The canonical SMILES for 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4c5c6c7ccccc7c7ccccc7c6n(-c6ccccc6)c5ccc43)n2)cc1.

What is the InChIKey of 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?

The InChIKey is XULRWQLHCYOGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N5O/c1-3-15-32(16-4-1)51-54-52(33-27-28-38-37-21-12-14-26-45(37)59-46(38)31-33)56-53(55-51)58-42-25-13-11-24-41(42)47-43(58)29-30-44-49(47)48-39-22-9-7-19-35(39)36-20-8-10-23-40(36)50(48)57(44)34-17-5-2-6-18-34/h1-31H.

What are the key properties of 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene?

10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene has a molecular weight of 753.86 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-phenyl-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 135166022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).