4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

C62H68N4O — CID 161323121

IUPAC4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
SMILESCC(C)(C)c1cc(N2CN(c3cccc(Oc4cc(C(C)(C)C)c5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)C=C2C(C)(C)c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C62H68N4O/c1-58(2,3)45-33-46(59(4,5)6)35-48(34-45)65-41-64(40-55(65)62(12,13)43-25-18-15-19-26-43)47-27-22-28-49(37-47)67-50-38-52(60(7,8)9)57-51-29-20-21-30-53(51)66(54(57)39-50)56-36-44(31-32-63-56)61(10,11)42-23-16-14-17-24-42/h14-40H,41H2,1-13H3
InChIKeyGVRJJZYFXOAZKH-UHFFFAOYSA-N
MW885.25 g/mol
LogP16.29
Rot. Bonds9

About 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 161323121) has the molecular formula C62H68N4O and a molecular weight of 885.25 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
PubChem CID161323121
Molecular FormulaC62H68N4O
Molecular Weight885.25 g/mol
Exact Mass884.54
IUPAC Name4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
SMILESCC(C)(C)c1cc(N2CN(c3cccc(Oc4cc(C(C)(C)C)c5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)C=C2C(C)(C)c2ccccc2)cc(C(C)(C)C)c1
InChIInChI=1S/C62H68N4O/c1-58(2,3)45-33-46(59(4,5)6)35-48(34-45)65-41-64(40-55(65)62(12,13)43-25-18-15-19-26-43)47-27-22-28-49(37-47)67-50-38-52(60(7,8)9)57-51-29-20-21-30-53(51)66(54(57)39-50)56-36-44(31-32-63-56)61(10,11)42-23-16-14-17-24-42/h14-40H,41H2,1-13H3
InChIKeyGVRJJZYFXOAZKH-UHFFFAOYSA-N
XLogP16.29
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.25
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159262514
4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158753112
4-tert-butyl-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]-5-phenylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158862809
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161450667
2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159266601
6-tert-butyl-2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159288294
4-tert-butyl-2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157082867
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162061748
4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4,5-dimethyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159559368
2-[3-tert-butyl-5-[4-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158807825
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 158515995
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159582782

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?
The IUPAC name of 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 161323121) is 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.
What is the SMILES notation for 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?
The canonical SMILES for 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)c1cc(N2CN(c3cccc(Oc4cc(C(C)(C)C)c5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)C=C2C(C)(C)c2ccccc2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?
The InChIKey is GVRJJZYFXOAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68N4O/c1-58(2,3)45-33-46(59(4,5)6)35-48(34-45)65-41-64(40-55(65)62(12,13)43-25-18-15-19-26-43)47-27-22-28-49(37-47)67-50-38-52(60(7,8)9)57-51-29-20-21-30-53(51)66(54(57)39-50)56-36-44(31-32-63-56)61(10,11)42-23-16-14-17-24-42/h14-40H,41H2,1-13H3.
What are the key properties of 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?
4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 885.25 g/mol, XLogP of 16.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 161323121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).