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

C65H74N4O — CID 157082867

IUPAC4-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
SMILESCC(C)c1cccc(C(C)C)c1C1=CN(c2cc(C(C)(C)C)cc(C(C)(C)c3ccccc3)c2)CN1c1cccc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1
InChIInChI=1S/C65H74N4O/c1-42(2)52-28-22-29-53(43(3)4)60(52)58-40-67(49-34-46(63(8,9)10)33-47(35-49)65(14,15)44-23-17-16-18-24-44)41-68(58)48-25-21-26-50(37-48)70-51-38-55(64(11,12)13)61-54-27-19-20-30-56(54)69(57(61)39-51)59-36-45(31-32-66-59)62(5,6)7/h16-40,42-43H,41H2,1-15H3
InChIKeyMQPBIAJJDLPVDJ-UHFFFAOYSA-N
MW927.33 g/mol
LogP17.72
Rot. Bonds10

About 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

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 (PubChem CID 157082867) has the molecular formula C65H74N4O and a molecular weight of 927.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID157082867
Molecular FormulaC65H74N4O
Molecular Weight927.33 g/mol
Exact Mass926.59
IUPAC Name4-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
SMILESCC(C)c1cccc(C(C)C)c1C1=CN(c2cc(C(C)(C)C)cc(C(C)(C)c3ccccc3)c2)CN1c1cccc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1
InChIInChI=1S/C65H74N4O/c1-42(2)52-28-22-29-53(43(3)4)60(52)58-40-67(49-34-46(63(8,9)10)33-47(35-49)65(14,15)44-23-17-16-18-24-44)41-68(58)48-25-21-26-50(37-48)70-51-38-55(64(11,12)13)61-54-27-19-20-30-56(54)69(57(61)39-51)59-36-45(31-32-66-59)62(5,6)7/h16-40,42-43H,41H2,1-15H3
InChIKeyMQPBIAJJDLPVDJ-UHFFFAOYSA-N
XLogP17.72
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.33
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
CID 158646134
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
CID 158107969
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-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-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-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162248377
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157334163
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158904656
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
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-4-phenyl-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 160572929
9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
CID 159831673

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(C(C)C)c1C1=CN(c2cc(C(C)(C)C)cc(C(C)(C)c3ccccc3)c2)CN1c1cccc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)c1.
What is the InChIKey of 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?
The InChIKey is MQPBIAJJDLPVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H74N4O/c1-42(2)52-28-22-29-53(43(3)4)60(52)58-40-67(49-34-46(63(8,9)10)33-47(35-49)65(14,15)44-23-17-16-18-24-44)41-68(58)48-25-21-26-50(37-48)70-51-38-55(64(11,12)13)61-54-27-19-20-30-56(54)69(57(61)39-51)59-36-45(31-32-66-59)62(5,6)7/h16-40,42-43H,41H2,1-15H3.
What are the key properties of 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?
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 has a molecular weight of 927.33 g/mol, XLogP of 17.72, 10 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-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 is sourced from PubChem (CID 157082867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).