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

C45H46N6O — CID 176782099

IUPAC2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)c1cc(C(C)(C)C)cnc1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2cnccc21
InChIInChI=1S/C45H46N6O/c1-29(2)37-22-31(45(6,7)8)26-48-43(37)50-28-49(41-27-46-20-19-39(41)50)32-12-11-13-33(24-32)52-34-16-17-36-35-14-9-10-15-38(35)51(40(36)25-34)42-23-30(18-21-47-42)44(3,4)5/h9-27,29H,28H2,1-8H3
InChIKeyGDJJGLJXBZEEDS-UHFFFAOYSA-N
MW686.90 g/mol
LogP11.73
Rot. Bonds6

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

2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 176782099) has the molecular formula C45H46N6O and a molecular weight of 686.90 g/mol. Its IUPAC name is 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID176782099
Molecular FormulaC45H46N6O
Molecular Weight686.90 g/mol
Exact Mass686.37
IUPAC Name2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)c1cc(C(C)(C)C)cnc1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2cnccc21
InChIInChI=1S/C45H46N6O/c1-29(2)37-22-31(45(6,7)8)26-48-43(37)50-28-49(41-27-46-20-19-39(41)50)32-12-11-13-33(24-32)52-34-16-17-36-35-14-9-10-15-38(35)51(40(36)25-34)42-23-30(18-21-47-42)44(3,4)5/h9-27,29H,28H2,1-8H3
InChIKeyGDJJGLJXBZEEDS-UHFFFAOYSA-N
XLogP11.73
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.90
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole with MolForge

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole
CID 176783228
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
2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783389
2-[3-[1-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782165
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782820
2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzothiophen-4-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782306
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzothiophen-1-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782056
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
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
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 176782099) is 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cc(C(C)(C)C)cnc1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2cnccc21.
What is the InChIKey of 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is GDJJGLJXBZEEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N6O/c1-29(2)37-22-31(45(6,7)8)26-48-43(37)50-28-49(41-27-46-20-19-39(41)50)32-12-11-13-33(24-32)52-34-16-17-36-35-14-9-10-15-38(35)51(40(36)25-34)42-23-30(18-21-47-42)44(3,4)5/h9-27,29H,28H2,1-8H3.
What are the key properties of 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 686.90 g/mol, XLogP of 11.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(5-tert-butyl-3-propan-2-yl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 176782099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).