9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole

C42H34N6O — CID 176783228

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole (PubChem CID 176783228) has the molecular formula C42H34N6O and a molecular weight of 638.78 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole
• PubChem CID: 176783228
• Molecular Formula: C42H34N6O
• Molecular Weight: 638.78 g/mol
• Exact Mass: 638.28
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6ccc7ccccc7n6)c6cnccc65)c4)cc32)c1
• InChI: InChI=1S/C42H34N6O/c1-42(2,3)29-19-22-44-41(23-29)48-36-14-7-5-12-33(36)34-17-16-32(25-38(34)48)49-31-11-8-10-30(24-31)46-27-47(39-26-43-21-20-37(39)46)40-18-15-28-9-4-6-13-35(28)45-40/h4-26H,27H2,1-3H3
• InChIKey: MGYDLCBDVXBKEF-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.78
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole (CID 176783228) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6ccc7ccccc7n6)c6cnccc65)c4)cc32)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole?

The InChIKey is MGYDLCBDVXBKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N6O/c1-42(2,3)29-19-22-44-41(23-29)48-36-14-7-5-12-33(36)34-17-16-32(25-38(34)48)49-31-11-8-10-30(24-31)46-27-47(39-26-43-21-20-37(39)46)40-18-15-28-9-4-6-13-35(28)45-40/h4-26H,27H2,1-3H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole has a molecular weight of 638.78 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole is sourced from PubChem (CID 176783228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).