2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole

C68H66N4O — CID 177082994

IUPAC2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
SMILES[2H]C([2H])([2H])c1ccnc(-n2c3ccc(C([2H])([2H])[2H])cc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccc(-c8cccc(C(C)(C)C)c8)cc7)cc(C(C)(C)C)cc6-c6ccc(C(C)(C)C)cc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C68H66N4O/c1-44-22-33-60-59(36-44)56-32-31-55(42-63(56)72(60)64-37-45(2)34-35-69-64)73-54-19-15-18-53(41-54)70-43-71(62-21-13-12-20-61(62)70)65-57(47-25-23-46(24-26-47)49-16-14-17-51(38-49)67(6,7)8)39-52(68(9,10)11)40-58(65)48-27-29-50(30-28-48)66(3,4)5/h12-42H,43H2,1-11H3/i1D3,2D3
InChIKeyABCXFNRJUXGKLB-WFGJKAKNSA-N
MW961.34 g/mol
LogP18.73
Rot. Bonds10

About 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole

2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole (PubChem CID 177082994) has the molecular formula C68H66N4O and a molecular weight of 961.34 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
PubChem CID177082994
Molecular FormulaC68H66N4O
Molecular Weight961.34 g/mol
Exact Mass960.56
IUPAC Name2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
SMILES[2H]C([2H])([2H])c1ccnc(-n2c3ccc(C([2H])([2H])[2H])cc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccc(-c8cccc(C(C)(C)C)c8)cc7)cc(C(C)(C)C)cc6-c6ccc(C(C)(C)C)cc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C68H66N4O/c1-44-22-33-60-59(36-44)56-32-31-55(42-63(56)72(60)64-37-45(2)34-35-69-64)73-54-19-15-18-53(41-54)70-43-71(62-21-13-12-20-61(62)70)65-57(47-25-23-46(24-26-47)49-16-14-17-51(38-49)67(6,7)8)39-52(68(9,10)11)40-58(65)48-27-29-50(30-28-48)66(3,4)5/h12-42H,43H2,1-11H3/i1D3,2D3
InChIKeyABCXFNRJUXGKLB-WFGJKAKNSA-N
XLogP18.73
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.34
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole with MolForge

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Related Compounds

2-[3-[3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 170780556
2-[3-[6-tert-butyl-3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 177082709
2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177082941
2-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177083037
2-[3-[3-[4-tert-butyl-2-(2-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177082811
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170671759
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-7-(trideuteriomethyl)carbazole
CID 155652537
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083061
9-[4-[2,6-bis(4-tert-butylphenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170671561
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-6-phenylcarbazole
CID 158433683
2-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 155652686
9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 170671606

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole (CID 177082994) is 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole is [2H]C([2H])([2H])c1ccnc(-n2c3ccc(C([2H])([2H])[2H])cc3c3ccc(Oc4cccc(N5CN(c6c(-c7ccc(-c8cccc(C(C)(C)C)c8)cc7)cc(C(C)(C)C)cc6-c6ccc(C(C)(C)C)cc6)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole?
The InChIKey is ABCXFNRJUXGKLB-WFGJKAKNSA-N. The full InChI is InChI=1S/C68H66N4O/c1-44-22-33-60-59(36-44)56-32-31-55(42-63(56)72(60)64-37-45(2)34-35-69-64)73-54-19-15-18-53(41-54)70-43-71(62-21-13-12-20-61(62)70)65-57(47-25-23-46(24-26-47)49-16-14-17-51(38-49)67(6,7)8)39-52(68(9,10)11)40-58(65)48-27-29-50(30-28-48)66(3,4)5/h12-42H,43H2,1-11H3/i1D3,2D3.
What are the key properties of 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole?
2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole has a molecular weight of 961.34 g/mol, XLogP of 18.73, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 177082994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).