19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C42H25N3 — CID 135162765

About 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 135162765) has the molecular formula C42H25N3 and a molecular weight of 571.68 g/mol. Its IUPAC name is 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 135162765
• Molecular Formula: C42H25N3
• Molecular Weight: 571.68 g/mol
• Exact Mass: 571.20
• IUPAC Name: 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• SMILES: c1ccc2cc(-c3cc4c5ccccc5c5c(c6ccccc6n5-c5ccc6ccccc6n5)c4c4ccccc34)ncc2c1
• InChI: InChI=1S/C42H25N3/c1-2-13-28-25-43-37(23-27(28)12-1)34-24-35-30-15-5-7-17-32(30)42-41(40(35)31-16-6-4-14-29(31)34)33-18-8-10-20-38(33)45(42)39-22-21-26-11-3-9-19-36(26)44-39/h1-25H
• InChIKey: GXIKGEIHXFLIBR-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.68
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 135162765) is 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is c1ccc2cc(-c3cc4c5ccccc5c5c(c6ccccc6n5-c5ccc6ccccc6n5)c4c4ccccc34)ncc2c1.

What is the InChIKey of 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The InChIKey is GXIKGEIHXFLIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3/c1-2-13-28-25-43-37(23-27(28)12-1)34-24-35-30-15-5-7-17-32(30)42-41(40(35)31-16-6-4-14-29(31)34)33-18-8-10-20-38(33)45(42)39-22-21-26-11-3-9-19-36(26)44-39/h1-25H.

What are the key properties of 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 571.68 g/mol, XLogP of 11.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 19-isoquinolin-3-yl-9-quinolin-2-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 135162765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).