2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole

C31H30N4O — CID 162274973

IUPAC2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
SMILESCN1C=CN(c2cccc(Oc3ccc4c5ccc(C(C)(C)C)cc5n(-c5ccccn5)c4c3)c2)C1
InChIInChI=1S/C31H30N4O/c1-31(2,3)22-11-13-26-27-14-12-25(20-29(27)35(28(26)18-22)30-10-5-6-15-32-30)36-24-9-7-8-23(19-24)34-17-16-33(4)21-34/h5-20H,21H2,1-4H3
InChIKeyMRZPMXWKNCPOJM-UHFFFAOYSA-N
MW474.61 g/mol
LogP7.45
Rot. Bonds4

About 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole

2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 162274973) has the molecular formula C31H30N4O and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID162274973
Molecular FormulaC31H30N4O
Molecular Weight474.61 g/mol
Exact Mass474.24
IUPAC Name2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
SMILESCN1C=CN(c2cccc(Oc3ccc4c5ccc(C(C)(C)C)cc5n(-c5ccccn5)c4c3)c2)C1
InChIInChI=1S/C31H30N4O/c1-31(2,3)22-11-13-26-27-14-12-25(20-29(27)35(28(26)18-22)30-10-5-6-15-32-30)36-24-9-7-8-23(19-24)34-17-16-33(4)21-34/h5-20H,21H2,1-4H3
InChIKeyMRZPMXWKNCPOJM-UHFFFAOYSA-N
XLogP7.45
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431
9-(4-tert-butyl-2-pyridinyl)-1-isocyano-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole
CID 155636278
2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole
CID 155652244
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651517
9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile
CID 155636196
2-[3-[3-[4-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159781894
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157050579
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]carbazole-4-carbonitrile
CID 155635818

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole (CID 162274973) is 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole is CN1C=CN(c2cccc(Oc3ccc4c5ccc(C(C)(C)C)cc5n(-c5ccccn5)c4c3)c2)C1.
What is the InChIKey of 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is MRZPMXWKNCPOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O/c1-31(2,3)22-11-13-26-27-14-12-25(20-29(27)35(28(26)18-22)30-10-5-6-15-32-30)36-24-9-7-8-23(19-24)34-17-16-33(4)21-34/h5-20H,21H2,1-4H3.
What are the key properties of 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole?
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 474.61 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 162274973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).