2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole

C40H40N4O — CID 155651623

IUPAC2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1cc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)C2)cc(C(C)(C)C)c1
InChIInChI=1S/C40H40N4O/c1-39(2,3)28-22-29(40(4,5)6)24-31(23-28)43-21-20-42(27-43)30-12-11-13-32(25-30)45-33-17-18-35-34-14-7-8-15-36(34)44(37(35)26-33)38-16-9-10-19-41-38/h7-26H,27H2,1-6H3
InChIKeyUEQYFUQFEUCUMU-UHFFFAOYSA-N
MW592.79 g/mol
LogP10.32
Rot. Bonds5

About 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole

2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 155651623) has the molecular formula C40H40N4O and a molecular weight of 592.79 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
PubChem CID155651623
Molecular FormulaC40H40N4O
Molecular Weight592.79 g/mol
Exact Mass592.32
IUPAC Name2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1cc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)C2)cc(C(C)(C)C)c1
InChIInChI=1S/C40H40N4O/c1-39(2,3)28-22-29(40(4,5)6)24-31(23-28)43-21-20-42(27-43)30-12-11-13-32(25-30)45-33-17-18-35-34-14-7-8-15-36(34)44(37(35)26-33)38-16-9-10-19-41-38/h7-26H,27H2,1-6H3
InChIKeyUEQYFUQFEUCUMU-UHFFFAOYSA-N
XLogP10.32
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
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
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161047690
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161448789
N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine
CID 155651880
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-[3-[3-[3,5-bis(2-methylpropyl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652120
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
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole (CID 155651623) is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is CC(C)(C)c1cc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)C2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
The InChIKey is UEQYFUQFEUCUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N4O/c1-39(2,3)28-22-29(40(4,5)6)24-31(23-28)43-21-20-42(27-43)30-12-11-13-32(25-30)45-33-17-18-35-34-14-7-8-15-36(34)44(37(35)26-33)38-16-9-10-19-41-38/h7-26H,27H2,1-6H3.
What are the key properties of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole?
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 592.79 g/mol, XLogP of 10.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 155651623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).