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

C65H68N4O — CID 164727095

IUPAC2-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
SMILES[2H]C([2H])([2H])c1cc(-n2c3cc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6c(-c7ccccc7)cccc65)c4)ccc3c3ccc(C(C)(C)C)cc32)ncc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C65H68N4O/c1-42-32-60(66-40-56(42)44-22-17-23-45(33-44)62(2,3)4)69-58-37-46(63(5,6)7)28-30-54(58)55-31-29-52(39-59(55)69)70-51-25-18-24-49(38-51)67-41-68(50-35-47(64(8,9)10)34-48(36-50)65(11,12)13)61-53(26-19-27-57(61)67)43-20-15-14-16-21-43/h14-40H,41H2,1-13H3/i1D3
InChIKeyYJRFFSGQZQZKFH-FIBGUPNXSA-N
MW924.30 g/mol
LogP18.05
Rot. Bonds8

About 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

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 (PubChem CID 164727095) has the molecular formula C65H68N4O and a molecular weight of 924.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID164727095
Molecular FormulaC65H68N4O
Molecular Weight924.30 g/mol
Exact Mass923.56
IUPAC Name2-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
SMILES[2H]C([2H])([2H])c1cc(-n2c3cc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6c(-c7ccccc7)cccc65)c4)ccc3c3ccc(C(C)(C)C)cc32)ncc1-c1cccc(C(C)(C)C)c1
InChIInChI=1S/C65H68N4O/c1-42-32-60(66-40-56(42)44-22-17-23-45(33-44)62(2,3)4)69-58-37-46(63(5,6)7)28-30-54(58)55-31-29-52(39-59(55)69)70-51-25-18-24-49(38-51)67-41-68(50-35-47(64(8,9)10)34-48(36-50)65(11,12)13)61-53(26-19-27-57(61)67)43-20-15-14-16-21-43/h14-40H,41H2,1-13H3/i1D3
InChIKeyYJRFFSGQZQZKFH-FIBGUPNXSA-N
XLogP18.05
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.30
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
[3-[6-[2-[3-[3-(3,5-ditert-butylphenyl)-4-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazol-9-yl]-4-methyl-3-pyridinyl]phenyl]-triphenylsilane
CID 164726825
[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-[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-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole
CID 164726858
9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780590
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])c1cc(-n2c3cc(Oc4cccc(N5CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6c(-c7ccccc7)cccc65)c4)ccc3c3ccc(C(C)(C)C)cc32)ncc1-c1cccc(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is YJRFFSGQZQZKFH-FIBGUPNXSA-N. The full InChI is InChI=1S/C65H68N4O/c1-42-32-60(66-40-56(42)44-22-17-23-45(33-44)62(2,3)4)69-58-37-46(63(5,6)7)28-30-54(58)55-31-29-52(39-59(55)69)70-51-25-18-24-49(38-51)67-41-68(50-35-47(64(8,9)10)34-48(36-50)65(11,12)13)61-53(26-19-27-57(61)67)43-20-15-14-16-21-43/h14-40H,41H2,1-13H3/i1D3.
What are the key properties of 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?
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 has a molecular weight of 924.30 g/mol, XLogP of 18.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164727095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).