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

C45H45N5O — CID 176782231

IUPAC2-[3-[1-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1cc(C(C)(C)C)cc(C)c1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2cnccc21
InChIInChI=1S/C45H45N5O/c1-29-22-32(45(6,7)8)23-30(2)43(29)49-28-48(41-27-46-20-19-39(41)49)33-12-11-13-34(25-33)51-35-16-17-37-36-14-9-10-15-38(36)50(40(37)26-35)42-24-31(18-21-47-42)44(3,4)5/h9-27H,28H2,1-8H3
InChIKeyWMWCXMFYGZTLKE-UHFFFAOYSA-N
MW671.89 g/mol
LogP11.83
Rot. Bonds5

About 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

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 (PubChem CID 176782231) has the molecular formula C45H45N5O and a molecular weight of 671.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[3-[1-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID176782231
Molecular FormulaC45H45N5O
Molecular Weight671.89 g/mol
Exact Mass671.36
IUPAC Name2-[3-[1-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1cc(C(C)(C)C)cc(C)c1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2cnccc21
InChIInChI=1S/C45H45N5O/c1-29-22-32(45(6,7)8)23-30(2)43(29)49-28-48(41-27-46-20-19-39(41)49)33-12-11-13-34(25-33)51-35-16-17-37-36-14-9-10-15-38(36)50(40(37)26-35)42-24-31(18-21-47-42)44(3,4)5/h9-27H,28H2,1-8H3
InChIKeyWMWCXMFYGZTLKE-UHFFFAOYSA-N
XLogP11.83
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.89
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
CID 176782965
2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783389
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole
CID 176783228
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782820
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-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
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-[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
9-(4-tert-butyl-2-pyridinyl)-2-[[4-[3-(2,6-dimethylphenyl)-2H-benzimidazol-1-yl]-2-pyridinyl]oxy]carbazole
CID 168848644
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(C)(C)C)cc(C)c1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2cnccc21.
What is the InChIKey of 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?
The InChIKey is WMWCXMFYGZTLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45N5O/c1-29-22-32(45(6,7)8)23-30(2)43(29)49-28-48(41-27-46-20-19-39(41)49)33-12-11-13-34(25-33)51-35-16-17-37-36-14-9-10-15-38(36)50(40(37)26-35)42-24-31(18-21-47-42)44(3,4)5/h9-27H,28H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 671.89 g/mol, XLogP of 11.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176782231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).