9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole

C55H48N4O — CID 162282293

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole (PubChem CID 162282293) has the molecular formula C55H48N4O and a molecular weight of 781.02 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole
• PubChem CID: 162282293
• Molecular Formula: C55H48N4O
• Molecular Weight: 781.02 g/mol
• Exact Mass: 780.38
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole
• SMILES: CC(C)N1C=C(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c2)N2C=CC=CC21
• InChI: InChI=1S/C55H48N4O/c1-37(2)58-36-51(57-30-15-14-25-53(57)58)40-31-41(54-45(38-17-8-6-9-18-38)22-16-23-46(54)39-19-10-7-11-20-39)33-44(32-40)60-43-26-27-48-47-21-12-13-24-49(47)59(50(48)35-43)52-34-42(28-29-56-52)55(3,4)5/h6-37,53H,1-5H3
• InChIKey: SGNOSHBWUWFNLN-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.02
LogP ≤ 5	14.00
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-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole (CID 162282293) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole is CC(C)N1C=C(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c2)N2C=CC=CC21.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole?

The InChIKey is SGNOSHBWUWFNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N4O/c1-37(2)58-36-51(57-30-15-14-25-53(57)58)40-31-41(54-45(38-17-8-6-9-18-38)22-16-23-46(54)39-19-10-7-11-20-39)33-44(32-40)60-43-26-27-48-47-21-12-13-24-49(47)59(50(48)35-43)52-34-42(28-29-56-52)55(3,4)5/h6-37,53H,1-5H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole has a molecular weight of 781.02 g/mol, XLogP of 14.00, 8 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-(2,6-diphenylphenyl)-5-(1-propan-2-yl-8aH-imidazo[1,2-a]pyridin-3-yl)phenoxy]carbazole is sourced from PubChem (CID 162282293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).