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

C71H76N4O — CID 160993096

IUPAC2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3c(C(C)(C)C)cc(Oc4cc(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)C)cc(C(C)(C)c5ccccc5)c4)cc32)c1
InChIInChI=1S/C71H76N4O/c1-66(2,3)51-35-36-72-64(42-51)75-61-34-26-25-33-59(61)65-60(67(4,5)6)44-58(45-62(65)75)76-57-41-54(71(14,15)50-31-23-18-24-32-50)40-56(43-57)74-47-73(46-63(74)68(7,8)9)55-38-52(69(10,11)48-27-19-16-20-28-48)37-53(39-55)70(12,13)49-29-21-17-22-30-49/h16-46H,1-15H3
InChIKeyVBAXMJUTVZMAJM-UHFFFAOYSA-N
MW1001.42 g/mol
LogP17.71
Rot. Bonds11

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 160993096) has the molecular formula C71H76N4O and a molecular weight of 1001.42 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID160993096
Molecular FormulaC71H76N4O
Molecular Weight1001.42 g/mol
Exact Mass1000.60
IUPAC Name2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3c(C(C)(C)C)cc(Oc4cc(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)C)cc(C(C)(C)c5ccccc5)c4)cc32)c1
InChIInChI=1S/C71H76N4O/c1-66(2,3)51-35-36-72-64(42-51)75-61-34-26-25-33-59(61)65-60(67(4,5)6)44-58(45-62(65)75)76-57-41-54(71(14,15)50-31-23-18-24-32-50)40-56(43-57)74-47-73(46-63(74)68(7,8)9)55-38-52(69(10,11)48-27-19-16-20-28-48)37-53(39-55)70(12,13)49-29-21-17-22-30-49/h16-46H,1-15H3
InChIKeyVBAXMJUTVZMAJM-UHFFFAOYSA-N
XLogP17.71
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.42
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole
CID 158107062
2-[3-[5-tert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158539887
4-tert-butyl-2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159997532
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]-5-tert-butylphenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157248559
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 159292821
2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-phenyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158421665
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 158107061
6-tert-butyl-2-[3-[5-tert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162088252
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-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159219601
2-[3-[4-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-4-(2-phenylpropan-2-yl)carbazole
CID 158905626
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161355433

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 160993096) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-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]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3c(C(C)(C)C)cc(Oc4cc(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)C)cc(C(C)(C)c5ccccc5)c4)cc32)c1.
What is the InChIKey of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is VBAXMJUTVZMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H76N4O/c1-66(2,3)51-35-36-72-64(42-51)75-61-34-26-25-33-59(61)65-60(67(4,5)6)44-58(45-62(65)75)76-57-41-54(71(14,15)50-31-23-18-24-32-50)40-56(43-57)74-47-73(46-63(74)68(7,8)9)55-38-52(69(10,11)48-27-19-16-20-28-48)37-53(39-55)70(12,13)49-29-21-17-22-30-49/h16-46H,1-15H3.
What are the key properties of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 1001.42 g/mol, XLogP of 17.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 160993096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).