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

C72H80N4O — CID 158248852

IUPAC4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
SMILESCC(C)(C)C1=C(C(C)(C)C)N(c2cc(-c3ccccc3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C72H80N4O/c1-67(2,3)52-36-37-73-63(43-52)76-61-35-27-26-34-59(61)64-60(68(4,5)6)45-58(46-62(64)76)77-57-42-54(72(15,16)51-32-24-19-25-33-51)41-56(44-57)75-47-74(65(69(7,8)9)66(75)70(10,11)12)55-39-49(48-28-20-17-21-29-48)38-53(40-55)71(13,14)50-30-22-18-23-31-50/h17-46H,47H2,1-16H3
InChIKeyMCSPLBLETJCDHF-UHFFFAOYSA-N
MW1017.46 g/mol
LogP19.47
Rot. Bonds10

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

4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole (PubChem CID 158248852) has the molecular formula C72H80N4O and a molecular weight of 1017.46 g/mol. Its IUPAC name is 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole.

Molecular Properties

Compound Name4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
PubChem CID158248852
Molecular FormulaC72H80N4O
Molecular Weight1017.46 g/mol
Exact Mass1016.63
IUPAC Name4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
SMILESCC(C)(C)C1=C(C(C)(C)C)N(c2cc(-c3ccccc3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C72H80N4O/c1-67(2,3)52-36-37-73-63(43-52)76-61-35-27-26-34-59(61)64-60(68(4,5)6)45-58(46-62(64)76)77-57-42-54(72(15,16)51-32-24-19-25-33-51)41-56(44-57)75-47-74(65(69(7,8)9)66(75)70(10,11)12)55-39-49(48-28-20-17-21-29-48)38-53(40-55)71(13,14)50-30-22-18-23-31-50/h17-46H,47H2,1-16H3
InChIKeyMCSPLBLETJCDHF-UHFFFAOYSA-N
XLogP19.47
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.46
LogP ≤ 519.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4,5-ditert-butyl-2H-imidazol-1-yl]-5-phenylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159064823
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
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
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
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 158248853
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-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 160769614
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159931893
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 161253412
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
CID 155652409
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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole?
The IUPAC name of 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole (CID 158248852) is 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole.
What is the SMILES notation for 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole?
The canonical SMILES for 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole is CC(C)(C)C1=C(C(C)(C)C)N(c2cc(-c3ccccc3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(Oc2cc(C(C)(C)C)c3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole?
The InChIKey is MCSPLBLETJCDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H80N4O/c1-67(2,3)52-36-37-73-63(43-52)76-61-35-27-26-34-59(61)64-60(68(4,5)6)45-58(46-62(64)76)77-57-42-54(72(15,16)51-32-24-19-25-33-51)41-56(44-57)75-47-74(65(69(7,8)9)66(75)70(10,11)12)55-39-49(48-28-20-17-21-29-48)38-53(40-55)71(13,14)50-30-22-18-23-31-50/h17-46H,47H2,1-16H3.
What are the key properties of 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole?
4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole has a molecular weight of 1017.46 g/mol, XLogP of 19.47, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole is sourced from PubChem (CID 158248852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).