9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole

C35H32N4O — CID 162286043

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole (PubChem CID 162286043) has the molecular formula C35H32N4O and a molecular weight of 527.69 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole
• PubChem CID: 162286043
• Molecular Formula: C35H32N4O
• Molecular Weight: 527.69 g/mol
• Exact Mass: 527.28
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole
• SMILES: [2H]C([2H])([2H])N1C(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)=CN2C=CC=CC21
• InChI: InChI=1S/C35H32N4O/c1-35(2,3)25-17-18-36-33(21-25)39-30-13-6-5-12-28(30)29-16-15-27(22-31(29)39)40-26-11-9-10-24(20-26)32-23-38-19-8-7-14-34(38)37(32)4/h5-23,34H,1-4H3/i4D3
• InChIKey: FJDOYGSGOMPFLR-GKOSEXJESA-N
• XLogP: 8.22
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.69
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole (CID 162286043) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole is [2H]C([2H])([2H])N1C(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)=CN2C=CC=CC21.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole?

The InChIKey is FJDOYGSGOMPFLR-GKOSEXJESA-N. The full InChI is InChI=1S/C35H32N4O/c1-35(2,3)25-17-18-36-33(21-25)39-30-13-6-5-12-28(30)29-16-15-27(22-31(29)39)40-26-11-9-10-24(20-26)32-23-38-19-8-7-14-34(38)37(32)4/h5-23,34H,1-4H3/i4D3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole has a molecular weight of 527.69 g/mol, XLogP of 8.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(trideuteriomethyl)-8aH-imidazo[1,2-a]pyridin-2-yl]phenoxy]carbazole is sourced from PubChem (CID 162286043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).