2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C50H48N6O — CID 176782601

About 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 176782601) has the molecular formula C50H48N6O and a molecular weight of 748.98 g/mol. Its IUPAC name is 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 176782601
• Molecular Formula: C50H48N6O
• Molecular Weight: 748.98 g/mol
• Exact Mass: 748.39
• IUPAC Name: 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3cccnc32)nc1
• InChI: InChI=1S/C50H48N6O/c1-32-25-36(50(6,7)8)26-33(2)47(32)34-18-21-45(53-30-34)55-31-54(43-17-12-23-52-48(43)55)37-13-11-14-38(28-37)57-39-19-20-41-40-15-9-10-16-42(40)56(44(41)29-39)46-27-35(22-24-51-46)49(3,4)5/h9-30H,31H2,1-8H3
• InChIKey: RLCUDKIKBGJGQU-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.98
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 176782601) is 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is Cc1cc(C(C)(C)C)cc(C)c1-c1ccc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3cccnc32)nc1.

What is the InChIKey of 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is RLCUDKIKBGJGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48N6O/c1-32-25-36(50(6,7)8)26-33(2)47(32)34-18-21-45(53-30-34)55-31-54(43-17-12-23-52-48(43)55)37-13-11-14-38(28-37)57-39-19-20-41-40-15-9-10-16-42(40)56(44(41)29-39)46-27-35(22-24-51-46)49(3,4)5/h9-30H,31H2,1-8H3.

What are the key properties of 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 748.98 g/mol, XLogP of 12.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 176782601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).