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

C59H54N4O — CID 163709529

IUPAC2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)ccc1-c1cc(-n2c3ccccc3c3ccc(Oc4cc(N5C=CN(c6ccccc6-c6ccccc6)C5)cc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C59H54N4O/c1-40-32-43(58(2,3)4)26-28-48(40)52-37-57(60-38-53(52)42-20-12-9-13-21-42)63-55-25-17-15-23-50(55)51-29-27-46(36-56(51)63)64-47-34-44(59(5,6)7)33-45(35-47)61-30-31-62(39-61)54-24-16-14-22-49(54)41-18-10-8-11-19-41/h8-38H,39H2,1-7H3/i1D3
InChIKeyXDLBBWMFEUGLAV-FIBGUPNXSA-N
MW838.13 g/mol
LogP15.63
Rot. Bonds9

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

2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole (PubChem CID 163709529) has the molecular formula C59H54N4O and a molecular weight of 838.13 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole
PubChem CID163709529
Molecular FormulaC59H54N4O
Molecular Weight838.13 g/mol
Exact Mass837.45
IUPAC Name2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)ccc1-c1cc(-n2c3ccccc3c3ccc(Oc4cc(N5C=CN(c6ccccc6-c6ccccc6)C5)cc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1
InChIInChI=1S/C59H54N4O/c1-40-32-43(58(2,3)4)26-28-48(40)52-37-57(60-38-53(52)42-20-12-9-13-21-42)63-55-25-17-15-23-50(55)51-29-27-46(36-56(51)63)64-47-34-44(59(5,6)7)33-45(35-47)61-30-31-62(39-61)54-24-16-14-22-49(54)41-18-10-8-11-19-41/h8-38H,39H2,1-7H3/i1D3
InChIKeyXDLBBWMFEUGLAV-FIBGUPNXSA-N
XLogP15.63
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.13
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole with MolForge

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Related Compounds

6-tert-butyl-2-[3-tert-butyl-5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780381
2-tert-butyl-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-7-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727095
9-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 171721538
9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 168780284
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole
CID 163669728
[3-[6-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-triphenylsilane
CID 164726868
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-9-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 171721531
9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164727386
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,4-diphenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
CID 155651780
3-[2-[3-tert-butyl-5-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
CID 162476395
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole?
The IUPAC name of 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole (CID 163709529) is 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole?
The canonical SMILES for 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole is [2H]C([2H])([2H])c1cc(C(C)(C)C)ccc1-c1cc(-n2c3ccccc3c3ccc(Oc4cc(N5C=CN(c6ccccc6-c6ccccc6)C5)cc(C(C)(C)C)c4)cc32)ncc1-c1ccccc1.
What is the InChIKey of 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole?
The InChIKey is XDLBBWMFEUGLAV-FIBGUPNXSA-N. The full InChI is InChI=1S/C59H54N4O/c1-40-32-43(58(2,3)4)26-28-48(40)52-37-57(60-38-53(52)42-20-12-9-13-21-42)63-55-25-17-15-23-50(55)51-29-27-46(36-56(51)63)64-47-34-44(59(5,6)7)33-45(35-47)61-30-31-62(39-61)54-24-16-14-22-49(54)41-18-10-8-11-19-41/h8-38H,39H2,1-7H3/i1D3.
What are the key properties of 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole?
2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole has a molecular weight of 838.13 g/mol, XLogP of 15.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-5-phenyl-2-pyridinyl]carbazole is sourced from PubChem (CID 163709529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).