7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole

C78H84N4O — CID 177276503

IUPAC7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole
SMILES[2H]c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1-c1cc(C(C)(C)C)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1N1CN(c2cccc(Oc3ccc4c5c([2H])c([2H])c([2H])c([2H])c5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C78H84N4O/c1-73(2,3)54-36-39-79-71(46-54)82-67-25-18-17-24-61(67)62-34-33-60(48-70(62)82)83-59-23-21-22-58(47-59)80-49-81(69-27-20-19-26-68(69)80)72-63(51-30-28-50(29-31-51)53-40-55(74(4,5)6)43-56(41-53)75(7,8)9)44-57(76(10,11)12)45-64(72)52-32-35-65-66(42-52)78(15,16)38-37-77(65,13)14/h17-36,39-48H,37-38,49H2,1-16H3/i17D,18D,24D,25D,30D
InChIKeySEIMGXVJUZRDLG-UZJVPQBQSA-N
MW1098.59 g/mol
LogP21.76
Rot. Bonds8

About 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole

7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole (PubChem CID 177276503) has the molecular formula C78H84N4O and a molecular weight of 1098.59 g/mol. Its IUPAC name is 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole.

Molecular Properties

Compound Name7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole
PubChem CID177276503
Molecular FormulaC78H84N4O
Molecular Weight1098.59 g/mol
Exact Mass1097.70
IUPAC Name7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole
SMILES[2H]c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1-c1cc(C(C)(C)C)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1N1CN(c2cccc(Oc3ccc4c5c([2H])c([2H])c([2H])c([2H])c5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C78H84N4O/c1-73(2,3)54-36-39-79-71(46-54)82-67-25-18-17-24-61(67)62-34-33-60(48-70(62)82)83-59-23-21-22-58(47-59)80-49-81(69-27-20-19-26-68(69)80)72-63(51-30-28-50(29-31-51)53-40-55(74(4,5)6)43-56(41-53)75(7,8)9)44-57(76(10,11)12)45-64(72)52-32-35-65-66(42-52)78(15,16)38-37-77(65,13)14/h17-36,39-48H,37-38,49H2,1-16H3/i17D,18D,24D,25D,30D
InChIKeySEIMGXVJUZRDLG-UZJVPQBQSA-N
XLogP21.76
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001098.59
LogP ≤ 521.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole with MolForge

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole
CID 177276202
2-[3-[3-[2-(3-tert-butyl-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176756717
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
7-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole
CID 177276295
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-[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-[3-[2-[4-(4-tert-butylphenyl)-2,3,6-trideuterio-5-(trideuteriomethyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176756916
7-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177133192
9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-2-[3-[3-[4-tert-butyl-2-(3-phenylphenyl)-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-7-(3,5-ditert-butylphenyl)carbazole
CID 177276415
7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
CID 177276434
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177303457

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole?
The IUPAC name of 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole (CID 177276503) is 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole.
What is the SMILES notation for 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole?
The canonical SMILES for 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole is [2H]c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1-c1cc(C(C)(C)C)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1N1CN(c2cccc(Oc3ccc4c5c([2H])c([2H])c([2H])c([2H])c5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole?
The InChIKey is SEIMGXVJUZRDLG-UZJVPQBQSA-N. The full InChI is InChI=1S/C78H84N4O/c1-73(2,3)54-36-39-79-71(46-54)82-67-25-18-17-24-61(67)62-34-33-60(48-70(62)82)83-59-23-21-22-58(47-59)80-49-81(69-27-20-19-26-68(69)80)72-63(51-30-28-50(29-31-51)53-40-55(74(4,5)6)43-56(41-53)75(7,8)9)44-57(76(10,11)12)45-64(72)52-32-35-65-66(42-52)78(15,16)38-37-77(65,13)14/h17-36,39-48H,37-38,49H2,1-16H3/i17D,18D,24D,25D,30D.
What are the key properties of 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole?
7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole has a molecular weight of 1098.59 g/mol, XLogP of 21.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-[4-tert-butyl-2-[2-deuterio-4-(3,5-ditert-butylphenyl)phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole is sourced from PubChem (CID 177276503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).