17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene

C35H23N3 — CID 146390424

About 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene

17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene (PubChem CID 146390424) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 146390424
• Molecular Formula: C35H23N3
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.19
• IUPAC Name: 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
• SMILES: c1ccc(-c2ccc(N3c4cc5ccccc5cc4-c4ccccc4-n4c3nc3ccccc34)cc2)cc1
• InChI: InChI=1S/C35H23N3/c1-2-10-24(11-3-1)25-18-20-28(21-19-25)37-34-23-27-13-5-4-12-26(27)22-30(34)29-14-6-8-16-32(29)38-33-17-9-7-15-31(33)36-35(37)38/h1-23H
• InChIKey: UHPKISFDONQIQR-UHFFFAOYSA-N
• XLogP: 9.30
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	9.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene (CID 146390424) is 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene is c1ccc(-c2ccc(N3c4cc5ccccc5cc4-c4ccccc4-n4c3nc3ccccc34)cc2)cc1.

What is the InChIKey of 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?

The InChIKey is UHPKISFDONQIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-2-10-24(11-3-1)25-18-20-28(21-19-25)37-34-23-27-13-5-4-12-26(27)22-30(34)29-14-6-8-16-32(29)38-33-17-9-7-15-31(33)36-35(37)38/h1-23H.

What are the key properties of 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene?

17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene has a molecular weight of 485.59 g/mol, XLogP of 9.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4-phenylphenyl)-8,15,17-triazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 146390424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).