1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol

C68H69BrN8O2 — CID 157102691

IUPAC1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol
SMILESCC(C)(C)c1cc(Br)cc(-n2ccnc2)c1.CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2ccnc2)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1
InChIInChI=1S/C34H34N4O.C21H20N2O.C13H15BrN2/c1-33(2,3)23-13-14-36-32(19-23)38-30-10-8-7-9-28(30)29-12-11-26(21-31(29)38)39-27-18-24(34(4,5)6)17-25(20-27)37-16-15-35-22-37;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23;1-13(2,3)10-6-11(14)8-12(7-10)16-5-4-15-9-16/h7-22H,1-6H3;4-13,24H,1-3H3;4-9H,1-3H3
InChIKeyAFYFRMLXITVMEG-UHFFFAOYSA-N
MW1110.26 g/mol
LogP17.87
Rot. Bonds6

About 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol

1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol (PubChem CID 157102691) has the molecular formula C68H69BrN8O2 and a molecular weight of 1110.26 g/mol. Its IUPAC name is 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol
PubChem CID157102691
Molecular FormulaC68H69BrN8O2
Molecular Weight1110.26 g/mol
Exact Mass1108.47
IUPAC Name1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol
SMILESCC(C)(C)c1cc(Br)cc(-n2ccnc2)c1.CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2ccnc2)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1
InChIInChI=1S/C34H34N4O.C21H20N2O.C13H15BrN2/c1-33(2,3)23-13-14-36-32(19-23)38-30-10-8-7-9-28(30)29-12-11-26(21-31(29)38)39-27-18-24(34(4,5)6)17-25(20-27)37-16-15-35-22-37;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23;1-13(2,3)10-6-11(14)8-12(7-10)16-5-4-15-9-16/h7-22H,1-6H3;4-13,24H,1-3H3;4-9H,1-3H3
InChIKeyAFYFRMLXITVMEG-UHFFFAOYSA-N
XLogP17.87
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.26
LogP ≤ 517.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

9-(4-Tert-butyl-2-pyridinyl)-2-[4-fluoro-3-[1-(oxan-2-yl)imidazol-2-yl]phenoxy]carbazole
CID 155100433
9-(4-Tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-6-fluorocarbazole
CID 168082858
2-[3-[3-[4-Tert-butyl-2,6-bis(4-fluorophenyl)phenyl]benzimidazol-3-ium-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531375
2-[3-Tert-butyl-5-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531412
2-[3-Tert-butyl-5-[3-[4-tert-butyl-2,6-bis(4-fluorophenyl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531616
2-[3-Tert-butyl-5-[3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172533775
2-[3-Tert-butyl-5-[5-tert-butyl-3-[4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172534147
2-[3-[3-(2-Fluorophenyl)benzimidazol-3-ium-1-yl]-5-methylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 172534180
2-[3-(Benzimidazol-1-yl)-5-(trifluoromethyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176342472
2-[3-(Benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(trifluoromethyl)carbazole
CID 176342481
5,10-Bis(4-fluoro-2-pyridinyl)-2,7-bis[3-(1-methylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
CID 154592450
9-(4-Tert-butyl-2-pyridinyl)-2-[2-fluoro-3-isocyano-5-(1-methylpyrrolo[2,3-c]pyridin-5-yl)phenoxy]carbazole
CID 155636128

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?
The IUPAC name of 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol (CID 157102691) is 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol.
What is the SMILES notation for 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?
The canonical SMILES for 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol is CC(C)(C)c1cc(Br)cc(-n2ccnc2)c1.CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(-n2ccnc2)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1.
What is the InChIKey of 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?
The InChIKey is AFYFRMLXITVMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O.C21H20N2O.C13H15BrN2/c1-33(2,3)23-13-14-36-32(19-23)38-30-10-8-7-9-28(30)29-12-11-26(21-31(29)38)39-27-18-24(34(4,5)6)17-25(20-27)37-16-15-35-22-37;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23;1-13(2,3)10-6-11(14)8-12(7-10)16-5-4-15-9-16/h7-22H,1-6H3;4-13,24H,1-3H3;4-9H,1-3H3.
What are the key properties of 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol?
1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol has a molecular weight of 1110.26 g/mol, XLogP of 17.87, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-tert-butylphenyl)imidazole;2-(3-tert-butyl-5-imidazol-1-ylphenoxy)-9-(4-tert-butyl-2-pyridinyl)carbazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol is sourced from PubChem (CID 157102691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).