7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene

C56H35N5 — CID 138661621

About 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene

7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene (PubChem CID 138661621) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
• PubChem CID: 138661621
• Molecular Formula: C56H35N5
• Molecular Weight: 777.93 g/mol
• Exact Mass: 777.29
• IUPAC Name: 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc5c6cc7nc(-c8ccccc8)c8ccccc8c7cc6n(-c6ccccc6)c5c4)c3)nc(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C56H35N5/c1-4-17-37(18-5-1)53-46-28-13-12-27-44(46)48-35-52-49(34-50(48)57-53)45-31-30-40(33-51(45)61(52)42-24-8-3-9-25-42)39-22-14-23-41(32-39)55-58-54(38-19-6-2-7-20-38)59-56(60-55)47-29-15-21-36-16-10-11-26-43(36)47/h1-35H
• InChIKey: DCIASMUADWKLTF-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.93
LogP ≤ 5	14.16
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 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

The IUPAC name of 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene (CID 138661621) is 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

The canonical SMILES for 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene is c1ccc(-c2nc(-c3cccc(-c4ccc5c6cc7nc(-c8ccccc8)c8ccccc8c7cc6n(-c6ccccc6)c5c4)c3)nc(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

The InChIKey is DCIASMUADWKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-4-17-37(18-5-1)53-46-28-13-12-27-44(46)48-35-52-49(34-50(48)57-53)45-31-30-40(33-51(45)61(52)42-24-8-3-9-25-42)39-22-14-23-41(32-39)55-58-54(38-19-6-2-7-20-38)59-56(60-55)47-29-15-21-36-16-10-11-26-43(36)47/h1-35H.

What are the key properties of 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?

7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene has a molecular weight of 777.93 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 138661621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).