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

C67H68N4O — CID 158107061

IUPAC2-[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
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)C)c4)cc32)c1
InChIInChI=1S/C67H68N4O/c1-63(2,3)49-35-36-68-62(41-49)71-59-34-31-50(65(7,8)46-23-16-13-17-24-46)40-58(59)57-33-32-56(43-60(57)71)72-55-30-22-29-53(42-55)70-45-69(44-61(70)64(4,5)6)54-38-51(66(9,10)47-25-18-14-19-26-47)37-52(39-54)67(11,12)48-27-20-15-21-28-48/h13-44H,1-12H3
InChIKeyQLBFDGNMWZHBAK-UHFFFAOYSA-N
MW945.31 g/mol
LogP16.41
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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole

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 (PubChem CID 158107061) has the molecular formula C67H68N4O and a molecular weight of 945.31 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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
PubChem CID158107061
Molecular FormulaC67H68N4O
Molecular Weight945.31 g/mol
Exact Mass944.54
IUPAC Name2-[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
SMILESCC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)C)c4)cc32)c1
InChIInChI=1S/C67H68N4O/c1-63(2,3)49-35-36-68-62(41-49)71-59-34-31-50(65(7,8)46-23-16-13-17-24-46)40-58(59)57-33-32-56(43-60(57)71)72-55-30-22-29-53(42-55)70-45-69(44-61(70)64(4,5)6)54-38-51(66(9,10)47-25-18-14-19-26-47)37-52(39-54)67(11,12)48-27-20-15-21-28-48/h13-44H,1-12H3
InChIKeyQLBFDGNMWZHBAK-UHFFFAOYSA-N
XLogP16.41
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.31
LogP ≤ 516.41
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'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-[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
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-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 161071999
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 161072000
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
CID 161071998
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-4-phenyl-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-tert-butyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158880667
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]-5-(2-phenylpropan-2-yl)phenoxy]-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 160993096
9-(4-tert-butyl-2-pyridinyl)-2-[3-[5-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 158421666

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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole (CID 158107061) is 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.
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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)C)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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?
The InChIKey is QLBFDGNMWZHBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H68N4O/c1-63(2,3)49-35-36-68-62(41-49)71-59-34-31-50(65(7,8)46-23-16-13-17-24-46)40-58(59)57-33-32-56(43-60(57)71)72-55-30-22-29-53(42-55)70-45-69(44-61(70)64(4,5)6)54-38-51(66(9,10)47-25-18-14-19-26-47)37-52(39-54)67(11,12)48-27-20-15-21-28-48/h13-44H,1-12H3.
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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole?
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 has a molecular weight of 945.31 g/mol, XLogP of 16.41, 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]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 158107061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).