22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C57H41N5 — CID 129305769

About 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 129305769) has the molecular formula C57H41N5 and a molecular weight of 795.99 g/mol. Its IUPAC name is 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 129305769
• Molecular Formula: C57H41N5
• Molecular Weight: 795.99 g/mol
• Exact Mass: 795.34
• IUPAC Name: 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: C1=CNC(c2cc(-c3ccccn3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc(-c5cccc(C6C=Cc7ccccc7N6)c5)cc3)c3ccccc3-4)c2)C=C1
• InChI: InChI=1S/C57H41N5/c1-5-22-51-39(14-1)28-31-52(60-51)41-16-13-15-40(34-41)38-26-29-44(30-27-38)61-53-23-6-2-17-46(53)56-47-18-3-7-24-54(47)62(57(56)48-19-4-8-25-55(48)61)45-36-42(49-20-9-11-32-58-49)35-43(37-45)50-21-10-12-33-59-50/h1-37,49,52,58,60H
• InChIKey: FQWNJUHKSVAICM-UHFFFAOYSA-N
• XLogP: 14.37
• TPSA: 45.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.99
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 129305769) is 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is C1=CNC(c2cc(-c3ccccn3)cc(-n3c4c(c5ccccc53)-c3ccccc3N(c3ccc(-c5cccc(C6C=Cc7ccccc7N6)c5)cc3)c3ccccc3-4)c2)C=C1.

What is the InChIKey of 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is FQWNJUHKSVAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N5/c1-5-22-51-39(14-1)28-31-52(60-51)41-16-13-15-40(34-41)38-26-29-44(30-27-38)61-53-23-6-2-17-46(53)56-47-18-3-7-24-54(47)62(57(56)48-19-4-8-25-55(48)61)45-36-42(49-20-9-11-32-58-49)35-43(37-45)50-21-10-12-33-59-50/h1-37,49,52,58,60H.

What are the key properties of 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 795.99 g/mol, XLogP of 14.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[3-(1,2-dihydropyridin-2-yl)-5-pyridin-2-ylphenyl]-8-[4-[3-(1,2-dihydroquinolin-2-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 129305769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).