2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole

C62H68N4O — CID 161248197

IUPAC2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)C1=CN(c2cccc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)CN1c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C62H68N4O/c1-58(2,3)44-27-30-54-53(36-44)52-29-28-51(39-55(52)66(54)57-37-45(31-32-63-57)59(4,5)6)67-50-26-20-25-48(38-50)64-40-56(60(7,8)9)65(41-64)49-34-46(61(10,11)42-21-16-14-17-22-42)33-47(35-49)62(12,13)43-23-18-15-19-24-43/h14-40H,41H2,1-13H3
InChIKeyOPPZMKBZARFCDA-UHFFFAOYSA-N
MW885.25 g/mol
LogP16.39
Rot. Bonds9

About 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 161248197) has the molecular formula C62H68N4O and a molecular weight of 885.25 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID161248197
Molecular FormulaC62H68N4O
Molecular Weight885.25 g/mol
Exact Mass884.54
IUPAC Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)C1=CN(c2cccc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)CN1c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C62H68N4O/c1-58(2,3)44-27-30-54-53(36-44)52-29-28-51(39-55(52)66(54)57-37-45(31-32-63-57)59(4,5)6)67-50-26-20-25-48(38-50)64-40-56(60(7,8)9)65(41-64)49-34-46(61(10,11)42-21-16-14-17-22-42)33-47(35-49)62(12,13)43-23-18-15-19-24-43/h14-40H,41H2,1-13H3
InChIKeyOPPZMKBZARFCDA-UHFFFAOYSA-N
XLogP16.39
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 ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole with MolForge

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Related Compounds

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651487
6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158757323
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
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
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
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-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-1-yl]-5-tert-butylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 161256607
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
2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-phenylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161380882
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
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 160729998
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 157150987

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 161248197) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)C1=CN(c2cccc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)CN1c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is OPPZMKBZARFCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68N4O/c1-58(2,3)44-27-30-54-53(36-44)52-29-28-51(39-55(52)66(54)57-37-45(31-32-63-57)59(4,5)6)67-50-26-20-25-48(38-50)64-40-56(60(7,8)9)65(41-64)49-34-46(61(10,11)42-21-16-14-17-22-42)33-47(35-49)62(12,13)43-23-18-15-19-24-43/h14-40H,41H2,1-13H3.
What are the key properties of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 885.25 g/mol, XLogP of 16.39, 9 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-bis(2-phenylpropan-2-yl)phenyl]-4-tert-butyl-2H-imidazol-1-yl]phenoxy]-6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 161248197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).