3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C136H82N20 — CID 161436165

About 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 161436165) has the molecular formula C136H82N20 and a molecular weight of 1996.29 g/mol. Its IUPAC name is 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 161436165
• Molecular Formula: C136H82N20
• Molecular Weight: 1996.29 g/mol
• Exact Mass: 1994.70
• IUPAC Name: 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3c4cncnc4c4c5ccccc5n(-c5cccc6ccncc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cncnc4c4c5ccccc5n(-c5cccc6cnccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cncnc4c4c5ccccc5n(-c5cccc6ncccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncncc4c4c5ccccc5n(-c5ccccn5)c4c32)cc1
• InChI: InChI=1S/3C35H21N5.C31H19N5/c1-2-10-22(11-3-1)39-29-16-6-4-12-24(29)31-26-20-36-21-38-33(26)32-25-13-5-7-17-30(25)40(35(32)34(31)39)28-18-8-15-27-23(28)14-9-19-37-27;1-2-10-23(11-3-1)39-29-14-6-4-12-25(29)31-27-20-37-21-38-33(27)32-26-13-5-7-15-30(26)40(35(32)34(31)39)28-16-8-9-22-19-36-18-17-24(22)28;1-2-10-23(11-3-1)39-28-14-6-4-12-24(28)31-27-20-37-21-38-33(27)32-25-13-5-7-15-29(25)40(35(32)34(31)39)30-16-8-9-22-17-18-36-19-26(22)30;1-2-10-20(11-3-1)35-24-14-6-5-13-22(24)28-29-23(18-32-19-34-29)27-21-12-4-7-15-25(21)36(30(27)31(28)35)26-16-8-9-17-33-26/h3*1-21H;1-19H
• InChIKey: VYRCYVGMRKLSCO-UHFFFAOYSA-N
• XLogP: 32.34
• TPSA: 194.12 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1996.29
LogP ≤ 5	32.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 161436165) is 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3c4cncnc4c4c5ccccc5n(-c5cccc6ccncc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cncnc4c4c5ccccc5n(-c5cccc6cnccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4cncnc4c4c5ccccc5n(-c5cccc6ncccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3c4ncncc4c4c5ccccc5n(-c5ccccn5)c4c32)cc1.

What is the InChIKey of 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is VYRCYVGMRKLSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C35H21N5.C31H19N5/c1-2-10-22(11-3-1)39-29-16-6-4-12-24(29)31-26-20-36-21-38-33(26)32-25-13-5-7-17-30(25)40(35(32)34(31)39)28-18-8-15-27-23(28)14-9-19-37-27;1-2-10-23(11-3-1)39-29-14-6-4-12-25(29)31-27-20-37-21-38-33(27)32-26-13-5-7-15-30(26)40(35(32)34(31)39)28-16-8-9-22-19-36-18-17-24(22)28;1-2-10-23(11-3-1)39-28-14-6-4-12-24(28)31-27-20-37-21-38-33(27)32-25-13-5-7-15-29(25)40(35(32)34(31)39)30-16-8-9-22-17-18-36-19-26(22)30;1-2-10-20(11-3-1)35-24-14-6-5-13-22(24)28-29-23(18-32-19-34-29)27-21-12-4-7-15-25(21)36(30(27)31(28)35)26-16-8-9-17-33-26/h3*1-21H;1-19H.

What are the key properties of 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 1996.29 g/mol, XLogP of 32.34, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-isoquinolin-5-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-isoquinolin-8-yl-24-phenyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;3-phenyl-24-pyridin-2-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-phenyl-3-quinolin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 161436165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).