7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole

C69H65N5O — CID 164749773

IUPAC7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole
SMILES[2H]c1c(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6nc7ccccc7n6C([2H])([2H])[2H])c5c4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)c3)c3ccccc32)c(-c2ccccc2)c([2H])c1C(C)(C)C
InChIInChI=1S/C69H65N5O/c1-67(2,3)48-40-54(45-24-13-11-14-25-45)65(55(41-48)46-26-15-12-16-27-46)73-44-72(61-34-21-22-35-62(61)73)49-38-47(64-56(68(4,5)6)29-23-30-57(64)69(7,8)9)39-51(42-49)75-50-36-37-53-52-28-17-19-32-59(52)74(63(53)43-50)66-70-58-31-18-20-33-60(58)71(66)10/h11-43H,44H2,1-10H3/i10D3,17D,19D,28D,32D,40D,41D
InChIKeyNLDLTCBUDPVETQ-GRHVQEGVSA-N
MW989.37 g/mol
LogP18.60
Rot. Bonds9

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

7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole (PubChem CID 164749773) has the molecular formula C69H65N5O and a molecular weight of 989.37 g/mol. Its IUPAC name is 7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole.

Molecular Properties

Compound Name7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole
PubChem CID164749773
Molecular FormulaC69H65N5O
Molecular Weight989.37 g/mol
Exact Mass988.58
IUPAC Name7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole
SMILES[2H]c1c(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6nc7ccccc7n6C([2H])([2H])[2H])c5c4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)c3)c3ccccc32)c(-c2ccccc2)c([2H])c1C(C)(C)C
InChIInChI=1S/C69H65N5O/c1-67(2,3)48-40-54(45-24-13-11-14-25-45)65(55(41-48)46-26-15-12-16-27-46)73-44-72(61-34-21-22-35-62(61)73)49-38-47(64-56(68(4,5)6)29-23-30-57(64)69(7,8)9)39-51(42-49)75-50-36-37-53-52-28-17-19-32-59(52)74(63(53)43-50)66-70-58-31-18-20-33-60(58)71(66)10/h11-43H,44H2,1-10H3/i10D3,17D,19D,28D,32D,40D,41D
InChIKeyNLDLTCBUDPVETQ-GRHVQEGVSA-N
XLogP18.60
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.37
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole
CID 164749805
[3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane
CID 164749890
CID 164782749
CID 164782749
9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-deuterio-5-[3-[3,5-dideuterio-2,6-diphenyl-4-(trideuteriomethyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164749880
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-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum
CID 164749873
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
2-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-isocyanophenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 164749872
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenoxy]-2-pyridinyl]carbazole
CID 170671587
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
2-[3-[3-[4-[4-tert-butyl-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-dideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 177105063
9-(4-tert-butyl-2-pyridinyl)-2-[3-(2,6-diphenylphenyl)-5-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490664

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole?
The IUPAC name of 7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole (CID 164749773) is 7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole.
What is the SMILES notation for 7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole?
The canonical SMILES for 7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole is [2H]c1c(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6nc7ccccc7n6C([2H])([2H])[2H])c5c4)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)c3)c3ccccc32)c(-c2ccccc2)c([2H])c1C(C)(C)C.
What is the InChIKey of 7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole?
The InChIKey is NLDLTCBUDPVETQ-GRHVQEGVSA-N. The full InChI is InChI=1S/C69H65N5O/c1-67(2,3)48-40-54(45-24-13-11-14-25-45)65(55(41-48)46-26-15-12-16-27-46)73-44-72(61-34-21-22-35-62(61)73)49-38-47(64-56(68(4,5)6)29-23-30-57(64)69(7,8)9)39-51(42-49)75-50-36-37-53-52-28-17-19-32-59(52)74(63(53)43-50)66-70-58-31-18-20-33-60(58)71(66)10/h11-43H,44H2,1-10H3/i10D3,17D,19D,28D,32D,40D,41D.
What are the key properties of 7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole?
7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole has a molecular weight of 989.37 g/mol, XLogP of 18.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-(4-tert-butyl-3,5-dideuterio-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-1,2,3,4-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazole is sourced from PubChem (CID 164749773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).