15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene

C56H35N5 — CID 154621639

About 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene

15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene (PubChem CID 154621639) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene.

Molecular Properties

• Compound Name: 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
• PubChem CID: 154621639
• Molecular Formula: C56H35N5
• Molecular Weight: 777.93 g/mol
• Exact Mass: 777.29
• IUPAC Name: 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene
• SMILES: C1=CC2=C(c3ccc(-c4nc5ccccc5c5c4ccn4cc(-c6ccccc6)nc54)cc3)C=CC3=CC=C4C(c5ccc6ccc(-c7ccccn7)nc6c5)=CC=C1C4C32
• InChI: InChI=1S/C56H35N5/c1-2-8-35(9-3-1)51-33-61-31-29-46-54(56(61)60-51)45-10-4-5-11-47(45)59-55(46)39-16-13-34(14-17-39)41-24-19-37-22-27-44-42(25-20-38-21-26-43(41)52(37)53(38)44)40-18-15-36-23-28-49(58-50(36)32-40)48-12-6-7-30-57-48/h1-33,52-53H
• InChIKey: PYKRIHOWIIAJTH-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.93
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?

The IUPAC name of 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene (CID 154621639) is 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene.

What is the SMILES notation for 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?

The canonical SMILES for 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene is C1=CC2=C(c3ccc(-c4nc5ccccc5c5c4ccn4cc(-c6ccccc6)nc54)cc3)C=CC3=CC=C4C(c5ccc6ccc(-c7ccccn7)nc6c5)=CC=C1C4C32.

What is the InChIKey of 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?

The InChIKey is PYKRIHOWIIAJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-2-8-35(9-3-1)51-33-61-31-29-46-54(56(61)60-51)45-10-4-5-11-47(45)59-55(46)39-16-13-34(14-17-39)41-24-19-37-22-27-44-42(25-20-38-21-26-43(41)52(37)53(38)44)40-18-15-36-23-28-49(58-50(36)32-40)48-12-6-7-30-57-48/h1-33,52-53H.

What are the key properties of 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene?

15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene has a molecular weight of 777.93 g/mol, XLogP of 13.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-phenyl-9-[4-[6-(2-pyridin-2-ylquinolin-7-yl)-10b,10c-dihydropyren-1-yl]phenyl]-8,13,16-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8,11,14,16-octaene is sourced from PubChem (CID 154621639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).