8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene

C54H36N2 — CID 145314267

About 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene

8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene (PubChem CID 145314267) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene
• PubChem CID: 145314267
• Molecular Formula: C54H36N2
• Molecular Weight: 712.90 g/mol
• Exact Mass: 712.29
• IUPAC Name: 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccccc5c5cccc6c7ccccc7n(c7ccccc74)c56)c3)cc2)cc1
• InChI: InChI=1S/C54H36N2/c1-3-14-37(15-4-1)39-26-30-41(31-27-39)43-34-44(42-32-28-40(29-33-42)38-16-5-2-6-17-38)36-45(35-43)55-50-22-9-7-18-46(50)48-20-13-21-49-47-19-8-10-23-51(47)56(54(48)49)53-25-12-11-24-52(53)55/h1-36H
• InChIKey: GOFITVDRMDTFHB-UHFFFAOYSA-N
• XLogP: 14.57
• TPSA: 9.34 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.90
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene?

The IUPAC name of 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene (CID 145314267) is 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene.

What is the SMILES notation for 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene?

The canonical SMILES for 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-n4c5ccccc5c5cccc6c7ccccc7n(c7ccccc74)c56)c3)cc2)cc1.

What is the InChIKey of 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene?

The InChIKey is GOFITVDRMDTFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-14-37(15-4-1)39-26-30-41(31-27-39)43-34-44(42-32-28-40(29-33-42)38-16-5-2-6-17-38)36-45(35-43)55-50-22-9-7-18-46(50)48-20-13-21-49-47-19-8-10-23-51(47)56(54(48)49)53-25-12-11-24-52(53)55/h1-36H.

What are the key properties of 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene?

8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene has a molecular weight of 712.90 g/mol, XLogP of 14.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3,5-bis(4-phenylphenyl)phenyl]-8,15-diazahexacyclo[13.10.1.02,7.09,14.016,21.022,26]hexacosa-1(26),2,4,6,9,11,13,16,18,20,22,24-dodecaene is sourced from PubChem (CID 145314267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).