14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene

C36H24N2 — CID 142397156

About 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene

14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene (PubChem CID 142397156) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
• PubChem CID: 142397156
• Molecular Formula: C36H24N2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.19
• IUPAC Name: 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
• SMILES: c1ccc(-c2cccc(N3c4ccccc4-c4ccccc4-n4c3cc3ccc5ccccc5c34)c2)cc1
• InChI: InChI=1S/C36H24N2/c1-2-11-25(12-3-1)27-14-10-15-29(23-27)37-33-19-8-6-17-31(33)32-18-7-9-20-34(32)38-35(37)24-28-22-21-26-13-4-5-16-30(26)36(28)38/h1-24H
• InChIKey: UVKBLIBFPPJXET-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

The IUPAC name of 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene (CID 142397156) is 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene.

What is the SMILES notation for 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

The canonical SMILES for 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene is c1ccc(-c2cccc(N3c4ccccc4-c4ccccc4-n4c3cc3ccc5ccccc5c34)c2)cc1.

What is the InChIKey of 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

The InChIKey is UVKBLIBFPPJXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-2-11-25(12-3-1)27-14-10-15-29(23-27)37-33-19-8-6-17-31(33)32-18-7-9-20-34(32)38-35(37)24-28-22-21-26-13-4-5-16-30(26)36(28)38/h1-24H.

What are the key properties of 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene?

14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene has a molecular weight of 484.60 g/mol, XLogP of 9.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene is sourced from PubChem (CID 142397156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).