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

C51H47N5OS — CID 176783845

IUPAC2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1cc(C(C)(C)C)cc(C)c1N1CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc3c2sc2ccccc23)c2cccnc21
InChIInChI=1S/C51H47N5OS/c1-31-24-34(51(6,7)8)25-32(2)47(31)55-30-54(42-17-13-22-53-49(42)55)44-29-36(27-40-39-15-10-12-18-45(39)58-48(40)44)57-35-19-20-38-37-14-9-11-16-41(37)56(43(38)28-35)46-26-33(21-23-52-46)50(3,4)5/h9-29H,30H2,1-8H3
InChIKeyMYDBZTTUKXAWHT-UHFFFAOYSA-N
MW778.04 g/mol
LogP14.19
Rot. Bonds5

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

2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 176783845) has the molecular formula C51H47N5OS and a molecular weight of 778.04 g/mol. Its IUPAC name is 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID176783845
Molecular FormulaC51H47N5OS
Molecular Weight778.04 g/mol
Exact Mass777.35
IUPAC Name2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1cc(C(C)(C)C)cc(C)c1N1CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc3c2sc2ccccc23)c2cccnc21
InChIInChI=1S/C51H47N5OS/c1-31-24-34(51(6,7)8)25-32(2)47(31)55-30-54(42-17-13-22-53-49(42)55)44-29-36(27-40-39-15-10-12-18-45(39)58-48(40)44)57-35-19-20-38-37-14-9-11-16-41(37)56(43(38)28-35)46-26-33(21-23-52-46)50(3,4)5/h9-29H,30H2,1-8H3
InChIKeyMYDBZTTUKXAWHT-UHFFFAOYSA-N
XLogP14.19
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.04
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole with MolForge

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]dibenzothiophen-2-yl]oxycarbazole
CID 176782135
9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole
CID 176783710
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(2,6-dimethyl-4-phenylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176783142
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176782573
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzothiophen-4-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782306
1-[3-tert-butyl-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-methyl-2H-[1]benzothiolo[2,3-e]benzimidazole
CID 155794755
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
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
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-[1-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782231
1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-phenyl-2H-[1]benzothiolo[3,2-f]benzimidazole
CID 155794717
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,4,6-tri(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176783417

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 176783845) is 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole is Cc1cc(C(C)(C)C)cc(C)c1N1CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc3c2sc2ccccc23)c2cccnc21.
What is the InChIKey of 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is MYDBZTTUKXAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N5OS/c1-31-24-34(51(6,7)8)25-32(2)47(31)55-30-54(42-17-13-22-53-49(42)55)44-29-36(27-40-39-15-10-12-18-45(39)58-48(40)44)57-35-19-20-38-37-14-9-11-16-41(37)56(43(38)28-35)46-26-33(21-23-52-46)50(3,4)5/h9-29H,30H2,1-8H3.
What are the key properties of 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 778.04 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]dibenzothiophen-2-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 176783845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).