3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene

C143H87N17 — CID 158719482

About 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene

3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene (PubChem CID 158719482) has the molecular formula C143H87N17 and a molecular weight of 2043.39 g/mol. Its IUPAC name is 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
• PubChem CID: 158719482
• Molecular Formula: C143H87N17
• Molecular Weight: 2043.39 g/mol
• Exact Mass: 2041.73
• IUPAC Name: 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5n(-c5ccnc6ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5n(-c5cncc6ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5n(-c5nccc6ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5n(-c5ncnc6ccccc56)c4c32)cc1
• InChI: InChI=1S/3C36H22N4.C35H21N5/c1-2-11-23(12-3-1)39-29-18-8-5-14-25(29)32-27-16-10-21-38-34(27)33-26-15-6-9-19-30(26)40(36(33)35(32)39)31-20-22-37-28-17-7-4-13-24(28)31;1-2-12-24(13-3-1)39-29-18-8-6-15-26(29)31-28-17-10-21-37-33(28)32-27-16-7-9-19-30(27)40(35(32)34(31)39)36-25-14-5-4-11-23(25)20-22-38-36;1-2-12-24(13-3-1)39-29-18-8-6-15-26(29)32-28-17-10-20-38-34(28)33-27-16-7-9-19-30(27)40(36(33)35(32)39)31-22-37-21-23-11-4-5-14-25(23)31;1-2-11-22(12-3-1)39-28-18-8-5-14-24(28)30-26-16-10-20-36-32(26)31-25-15-6-9-19-29(25)40(34(31)33(30)39)35-23-13-4-7-17-27(23)37-21-38-35/h3*1-22H;1-21H
• InChIKey: IJSOTOOKGUIVPY-UHFFFAOYSA-N
• XLogP: 35.30
• TPSA: 155.45 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2043.39
LogP ≤ 5	35.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

The IUPAC name of 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene (CID 158719482) is 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene.

What is the SMILES notation for 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

The canonical SMILES for 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5n(-c5ccnc6ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5n(-c5cncc6ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5n(-c5nccc6ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cccnc4c4c5ccccc5n(-c5ncnc6ccccc56)c4c32)cc1.

What is the InChIKey of 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

The InChIKey is IJSOTOOKGUIVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H22N4.C35H21N5/c1-2-11-23(12-3-1)39-29-18-8-5-14-25(29)32-27-16-10-21-38-34(27)33-26-15-6-9-19-30(26)40(36(33)35(32)39)31-20-22-37-28-17-7-4-13-24(28)31;1-2-12-24(13-3-1)39-29-18-8-6-15-26(29)31-28-17-10-21-37-33(28)32-27-16-7-9-19-30(27)40(35(32)34(31)39)36-25-14-5-4-11-23(25)20-22-38-36;1-2-12-24(13-3-1)39-29-18-8-6-15-26(29)32-28-17-10-20-38-34(28)33-27-16-7-9-19-30(27)40(36(33)35(32)39)31-22-37-21-23-11-4-5-14-25(23)31;1-2-11-22(12-3-1)39-28-18-8-5-14-24(28)30-26-16-10-20-36-32(26)31-25-15-6-9-19-29(25)40(34(31)33(30)39)35-23-13-4-7-17-27(23)37-21-38-35/h3*1-22H;1-21H.

What are the key properties of 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene?

3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene has a molecular weight of 2043.39 g/mol, XLogP of 35.30, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-isoquinolin-1-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;3-isoquinolin-4-yl-24-phenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinazolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene;24-phenyl-3-quinolin-4-yl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene is sourced from PubChem (CID 158719482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).