20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene

C55H36N4 — CID 145347622

About 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene

20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene (PubChem CID 145347622) has the molecular formula C55H36N4 and a molecular weight of 752.92 g/mol. Its IUPAC name is 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene.

Molecular Properties

• Compound Name: 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
• PubChem CID: 145347622
• Molecular Formula: C55H36N4
• Molecular Weight: 752.92 g/mol
• Exact Mass: 752.29
• IUPAC Name: 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene
• SMILES: C1=CC(n2c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3c3c4cccc5ccc6cccc(c6c54)c32)=CCC1
• InChI: InChI=1S/C55H36N4/c1-5-15-35(16-6-1)41-31-42(36-17-7-2-8-18-36)33-43(32-41)55-57-53(39-19-9-3-10-20-39)56-54(58-55)40-29-30-48-47(34-40)51-45-25-13-21-37-27-28-38-22-14-26-46(50(38)49(37)45)52(51)59(48)44-23-11-4-12-24-44/h1-3,5-11,13-34H,4,12H2
• InChIKey: XXFFTVOCJXUPQP-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.92
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene?

The IUPAC name of 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene (CID 145347622) is 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene.

What is the SMILES notation for 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene?

The canonical SMILES for 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene is C1=CC(n2c3ccc(-c4nc(-c5ccccc5)nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)n4)cc3c3c4cccc5ccc6cccc(c6c54)c32)=CCC1.

What is the InChIKey of 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene?

The InChIKey is XXFFTVOCJXUPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4/c1-5-15-35(16-6-1)41-31-42(36-17-7-2-8-18-36)33-43(32-41)55-57-53(39-19-9-3-10-20-39)56-54(58-55)40-29-30-48-47(34-40)51-45-25-13-21-37-27-28-38-22-14-26-46(50(38)49(37)45)52(51)59(48)44-23-11-4-12-24-44/h1-3,5-11,13-34H,4,12H2.

What are the key properties of 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene?

20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene has a molecular weight of 752.92 g/mol, XLogP of 14.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 20-cyclohexa-1,5-dien-1-yl-16-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-20-azahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaene is sourced from PubChem (CID 145347622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).