10-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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

C65H41N5 — CID 135165990

About 10-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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 135165990) has the molecular formula C65H41N5 and a molecular weight of 892.08 g/mol. Its IUPAC name is 10-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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: 135165990
• Molecular Formula: C65H41N5
• Molecular Weight: 892.08 g/mol
• Exact Mass: 891.34
• IUPAC Name: 10-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccc6c(c7ccccc7n6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c5c6ccccc6c6ccccc6c54)n3)c2)cc1
• InChI: InChI=1S/C65H41N5/c1-5-20-42(21-6-1)46-28-19-29-47(38-46)64-66-63(45-26-11-4-12-27-45)67-65(68-64)70-58-37-36-57-59(61(58)60-53-32-15-13-30-51(53)52-31-14-16-33-54(52)62(60)70)55-34-17-18-35-56(55)69(57)50-40-48(43-22-7-2-8-23-43)39-49(41-50)44-24-9-3-10-25-44/h1-41H
• InChIKey: JWUUIVAZOIRTGA-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.08
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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 135165990) is 10-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccc6c(c7ccccc7n6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c5c6ccccc6c6ccccc6c54)n3)c2)cc1.

What is the InChIKey of 10-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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 JWUUIVAZOIRTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N5/c1-5-20-42(21-6-1)46-28-19-29-47(38-46)64-66-63(45-26-11-4-12-27-45)67-65(68-64)70-58-37-36-57-59(61(58)60-53-32-15-13-30-51(53)52-31-14-16-33-54(52)62(60)70)55-34-17-18-35-56(55)69(57)50-40-48(43-22-7-2-8-23-43)39-49(41-50)44-24-9-3-10-25-44/h1-41H.

What are the key properties of 10-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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 892.08 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(3,5-diphenylphenyl)-15-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-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 135165990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).