9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

C60H50N4O — CID 177082892

IUPAC9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5ccc(-c6ccccc6C([2H])([2H])[2H])cc5C([2H])([2H])[2H])c5ccccc54)c3)cc1n2-c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C60H50N4O/c1-40-17-9-10-22-48(40)43-29-32-49(41(2)35-43)53-25-16-24-50(42-18-7-6-8-19-42)59(53)63-39-62(55-27-13-14-28-56(55)63)45-20-15-21-46(36-45)65-47-31-33-52-51-23-11-12-26-54(51)64(57(52)37-47)58-34-30-44(38-61-58)60(3,4)5/h6-38H,39H2,1-5H3/i1D3,2D3,11D,12D,23D,26D
InChIKeyNNLCQXOHQZZYLQ-ISYOADBYSA-N
MW853.15 g/mol
LogP16.13
Rot. Bonds10

About 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 177082892) has the molecular formula C60H50N4O and a molecular weight of 853.15 g/mol. Its IUPAC name is 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
PubChem CID177082892
Molecular FormulaC60H50N4O
Molecular Weight853.15 g/mol
Exact Mass852.46
IUPAC Name9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5ccc(-c6ccccc6C([2H])([2H])[2H])cc5C([2H])([2H])[2H])c5ccccc54)c3)cc1n2-c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C60H50N4O/c1-40-17-9-10-22-48(40)43-29-32-49(41(2)35-43)53-25-16-24-50(42-18-7-6-8-19-42)59(53)63-39-62(55-27-13-14-28-56(55)63)45-20-15-21-46(36-45)65-47-31-33-52-51-23-11-12-26-54(51)64(57(52)37-47)58-34-30-44(38-61-58)60(3,4)5/h6-38H,39H2,1-5H3/i1D3,2D3,11D,12D,23D,26D
InChIKeyNNLCQXOHQZZYLQ-ISYOADBYSA-N
XLogP16.13
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.15
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole with MolForge

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Related Compounds

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
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-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-(4-deuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164749763
2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(5-tert-butyl-2-pyridinyl)carbazole
CID 177082890
9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176784139
7-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole
CID 170780447
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
2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 176756935
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
The IUPAC name of 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 177082892) is 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5ccc(-c6ccccc6C([2H])([2H])[2H])cc5C([2H])([2H])[2H])c5ccccc54)c3)cc1n2-c1ccc(C(C)(C)C)cn1.
What is the InChIKey of 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
The InChIKey is NNLCQXOHQZZYLQ-ISYOADBYSA-N. The full InChI is InChI=1S/C60H50N4O/c1-40-17-9-10-22-48(40)43-29-32-49(41(2)35-43)53-25-16-24-50(42-18-7-6-8-19-42)59(53)63-39-62(55-27-13-14-28-56(55)63)45-20-15-21-46(36-45)65-47-31-33-52-51-23-11-12-26-54(51)64(57(52)37-47)58-34-30-44(38-61-58)60(3,4)5/h6-38H,39H2,1-5H3/i1D3,2D3,11D,12D,23D,26D.
What are the key properties of 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?
9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 853.15 g/mol, XLogP of 16.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 177082892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).