9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

C56H35N7 — CID 164780736

About 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 164780736) has the molecular formula C56H35N7 and a molecular weight of 805.95 g/mol. Its IUPAC name is 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 164780736
• Molecular Formula: C56H35N7
• Molecular Weight: 805.95 g/mol
• Exact Mass: 805.30
• IUPAC Name: 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccccn8)nc7c6)ccc5n4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
• InChI: InChI=1S/C56H35N7/c1-2-10-38(11-3-1)54-60-55(62-56(61-54)40-23-28-44(29-24-40)63-52-15-6-4-12-45(52)46-13-5-7-16-53(46)63)39-20-17-36(18-21-39)47-31-27-43-34-41(26-30-48(43)58-47)42-22-19-37-25-32-50(59-51(37)35-42)49-14-8-9-33-57-49/h1-35H
• InChIKey: KCDHRMFYZHXNMY-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.95
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 164780736) is 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc5cc(-c6ccc7ccc(-c8ccccn8)nc7c6)ccc5n4)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.

What is the InChIKey of 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is KCDHRMFYZHXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N7/c1-2-10-38(11-3-1)54-60-55(62-56(61-54)40-23-28-44(29-24-40)63-52-15-6-4-12-45(52)46-13-5-7-16-53(46)63)39-20-17-36(18-21-39)47-31-27-43-34-41(26-30-48(43)58-47)42-22-19-37-25-32-50(59-51(37)35-42)49-14-8-9-33-57-49/h1-35H.

What are the key properties of 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 805.95 g/mol, XLogP of 13.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-phenyl-6-[4-[6-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 164780736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).