11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene

C36H24N2 — CID 146390270

About 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene

11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene (PubChem CID 146390270) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
• PubChem CID: 146390270
• Molecular Formula: C36H24N2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.19
• IUPAC Name: 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
• SMILES: c1ccc(-c2cccc(N3c4ccccc4-c4cc5ccccc5cc4-n4c3cc3ccccc34)c2)cc1
• InChI: InChI=1S/C36H24N2/c1-2-11-25(12-3-1)26-16-10-17-30(21-26)37-34-20-9-7-18-31(34)32-22-27-13-4-5-14-28(27)23-35(32)38-33-19-8-6-15-29(33)24-36(37)38/h1-24H
• InChIKey: KKVWJRDAQQEHNB-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 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?

The IUPAC name of 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene (CID 146390270) is 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene.

What is the SMILES notation for 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?

The canonical SMILES for 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene is c1ccc(-c2cccc(N3c4ccccc4-c4cc5ccccc5cc4-n4c3cc3ccccc34)c2)cc1.

What is the InChIKey of 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?

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

What are the key properties of 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene?

11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-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 11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene is sourced from PubChem (CID 146390270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).