9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole

C61H38N6 — CID 155023382

About 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole

9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole (PubChem CID 155023382) has the molecular formula C61H38N6 and a molecular weight of 855.02 g/mol. Its IUPAC name is 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
• PubChem CID: 155023382
• Molecular Formula: C61H38N6
• Molecular Weight: 855.02 g/mol
• Exact Mass: 854.32
• IUPAC Name: 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4ccc5cc(-c6ccc7ccc(-c8cccc9cccnc89)nc7c6)ccc5n4)c3)n2)cc1
• InChI: InChI=1S/C61H38N6/c1-2-11-42(12-3-1)61-65-56(40-24-29-48(30-25-40)67-58-20-6-4-17-49(58)50-18-5-7-21-59(50)67)38-57(66-61)46-15-8-14-45(36-46)52-32-28-47-35-43(27-31-53(47)63-52)44-23-22-39-26-33-54(64-55(39)37-44)51-19-9-13-41-16-10-34-62-60(41)51/h1-38H
• InChIKey: AQBIQDPRQQFAFE-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.02
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole (CID 155023382) is 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole?

The canonical SMILES for 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc(-c4ccc5cc(-c6ccc7ccc(-c8cccc9cccnc89)nc7c6)ccc5n4)c3)n2)cc1.

What is the InChIKey of 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole?

The InChIKey is AQBIQDPRQQFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N6/c1-2-11-42(12-3-1)61-65-56(40-24-29-48(30-25-40)67-58-20-6-4-17-49(58)50-18-5-7-21-59(50)67)38-57(66-61)46-15-8-14-45(36-46)52-32-28-47-35-43(27-31-53(47)63-52)44-23-22-39-26-33-54(64-55(39)37-44)51-19-9-13-41-16-10-34-62-60(41)51/h1-38H.

What are the key properties of 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole?

9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 855.02 g/mol, XLogP of 15.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-phenyl-6-[3-[6-(2-quinolin-8-ylquinolin-7-yl)quinolin-2-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 155023382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).