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

C57H61N5O — CID 176782206

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

2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 176782206) has the molecular formula C57H61N5O and a molecular weight of 832.15 g/mol. Its IUPAC name is 2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 176782206
• Molecular Formula: C57H61N5O
• Molecular Weight: 832.15 g/mol
• Exact Mass: 831.49
• IUPAC Name: 2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: Cc1cc(C(C)(C)C)cc(C)c1-c1cc(C(C)C)c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ncccc32)c(C(C)C)c1
• InChI: InChI=1S/C57H61N5O/c1-35(2)47-29-39(53-37(5)27-41(28-38(53)6)57(10,11)12)30-48(36(3)4)54(47)61-34-60(55-50(61)21-16-25-59-55)42-17-15-18-43(32-42)63-44-22-23-46-45-19-13-14-20-49(45)62(51(46)33-44)52-31-40(24-26-58-52)56(7,8)9/h13-33,35-36H,34H2,1-12H3
• InChIKey: XRAPAXNIHFLZTF-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.15
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 176782206) is 2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is Cc1cc(C(C)(C)C)cc(C)c1-c1cc(C(C)C)c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ncccc32)c(C(C)C)c1.

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

The InChIKey is XRAPAXNIHFLZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H61N5O/c1-35(2)47-29-39(53-37(5)27-41(28-38(53)6)57(10,11)12)30-48(36(3)4)54(47)61-34-60(55-50(61)21-16-25-59-55)42-17-15-18-43(32-42)63-44-22-23-46-45-19-13-14-20-49(45)62(51(46)33-44)52-31-40(24-26-58-52)56(7,8)9/h13-33,35-36H,34H2,1-12H3.

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

2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 832.15 g/mol, XLogP of 15.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[4-(4-tert-butyl-2,6-dimethylphenyl)-2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 176782206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).