24-isoquinolin-8-yl-3-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

C35H21N5 — CID 122523927

About 24-isoquinolin-8-yl-3-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

24-isoquinolin-8-yl-3-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 (PubChem CID 122523927) has the molecular formula C35H21N5 and a molecular weight of 511.59 g/mol. Its IUPAC name is 24-isoquinolin-8-yl-3-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.

Molecular Properties

• Compound Name: 24-isoquinolin-8-yl-3-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
• PubChem CID: 122523927
• Molecular Formula: C35H21N5
• Molecular Weight: 511.59 g/mol
• Exact Mass: 511.18
• IUPAC Name: 24-isoquinolin-8-yl-3-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
• SMILES: c1ccc(-n2c3ccccc3c3c4ncncc4c4c5ccccc5n(-c5cccc6ccncc56)c4c32)cc1
• InChI: InChI=1S/C35H21N5/c1-2-10-23(11-3-1)39-28-14-6-5-13-25(28)32-33-27(20-37-21-38-33)31-24-12-4-7-15-29(24)40(34(31)35(32)39)30-16-8-9-22-17-18-36-19-26(22)30/h1-21H
• InChIKey: HWQPCFKRKDUYID-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.59
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 24-isoquinolin-8-yl-3-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?

The IUPAC name of 24-isoquinolin-8-yl-3-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 (CID 122523927) is 24-isoquinolin-8-yl-3-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.

What is the SMILES notation for 24-isoquinolin-8-yl-3-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?

The canonical SMILES for 24-isoquinolin-8-yl-3-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 is c1ccc(-n2c3ccccc3c3c4ncncc4c4c5ccccc5n(-c5cccc6ccncc56)c4c32)cc1.

What is the InChIKey of 24-isoquinolin-8-yl-3-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?

The InChIKey is HWQPCFKRKDUYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N5/c1-2-10-23(11-3-1)39-28-14-6-5-13-25(28)32-33-27(20-37-21-38-33)31-24-12-4-7-15-29(24)40(34(31)35(32)39)30-16-8-9-22-17-18-36-19-26(22)30/h1-21H.

What are the key properties of 24-isoquinolin-8-yl-3-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?

24-isoquinolin-8-yl-3-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 has a molecular weight of 511.59 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-isoquinolin-8-yl-3-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 is sourced from PubChem (CID 122523927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).