14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene

C51H33N5 — CID 146390254

About 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene

14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene (PubChem CID 146390254) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
• PubChem CID: 146390254
• Molecular Formula: C51H33N5
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.27
• IUPAC Name: 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
• SMILES: c1ccc(-c2ccc(-c3cc(-c4cccc(N5c6ccccc6-c6ccccc6-n6c5nc5cc7ccccc7cc56)c4)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C51H33N5/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)44-33-45(53-50(52-44)37-16-5-2-6-17-37)40-20-13-21-41(30-40)55-47-24-11-9-22-42(47)43-23-10-12-25-48(43)56-49-32-39-19-8-7-18-38(39)31-46(49)54-51(55)56/h1-33H
• InChIKey: MZIFTLGPLHCNIR-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The IUPAC name of 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene (CID 146390254) is 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene.

What is the SMILES notation for 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The canonical SMILES for 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene is c1ccc(-c2ccc(-c3cc(-c4cccc(N5c6ccccc6-c6ccccc6-n6c5nc5cc7ccccc7cc56)c4)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The InChIKey is MZIFTLGPLHCNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)44-33-45(53-50(52-44)37-16-5-2-6-17-37)40-20-13-21-41(30-40)55-47-24-11-9-22-42(47)43-23-10-12-25-48(43)56-49-32-39-19-8-7-18-38(39)31-46(49)54-51(55)56/h1-33H.

What are the key properties of 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene has a molecular weight of 715.86 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,14,16-triazahexacyclo[13.11.0.02,7.08,13.017,26.019,24]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene is sourced from PubChem (CID 146390254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).