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

C70H70N4O — CID 177082890

IUPAC2-[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
SMILES[2H]c1c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccc(C(C)(C)C)cn6)c5c4)c3)c3ccccc32)c([2H])c([2H])c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C70H70N4O/c1-67(2,3)50-33-31-47(32-34-50)46-27-29-48(30-28-46)57-22-18-23-58(49-39-52(69(7,8)9)41-53(40-49)70(10,11)12)66(57)73-45-72(62-25-15-16-26-63(62)73)54-19-17-20-55(42-54)75-56-36-37-60-59-21-13-14-24-61(59)74(64(60)43-56)65-38-35-51(44-71-65)68(4,5)6/h13-44H,45H2,1-12H3/i27D,28D,29D,30D
InChIKeyMWDRMUJFIGYPNY-OCUCCEAMSA-N
MW987.38 g/mol
LogP19.41
Rot. Bonds8

About 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

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 (PubChem CID 177082890) has the molecular formula C70H70N4O and a molecular weight of 987.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID177082890
Molecular FormulaC70H70N4O
Molecular Weight987.38 g/mol
Exact Mass986.58
IUPAC Name2-[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
SMILES[2H]c1c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccc(C(C)(C)C)cn6)c5c4)c3)c3ccccc32)c([2H])c([2H])c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C70H70N4O/c1-67(2,3)50-33-31-47(32-34-50)46-27-29-48(30-28-46)57-22-18-23-58(49-39-52(69(7,8)9)41-53(40-49)70(10,11)12)66(57)73-45-72(62-25-15-16-26-63(62)73)54-19-17-20-55(42-54)75-56-36-37-60-59-21-13-14-24-61(59)74(64(60)43-56)65-38-35-51(44-71-65)68(4,5)6/h13-44H,45H2,1-12H3/i27D,28D,29D,30D
InChIKeyMWDRMUJFIGYPNY-OCUCCEAMSA-N
XLogP19.41
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.38
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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-[4-tert-butyl-5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083076
4'-[2-[3-[3-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-benzimidazol-1-yl]-3-(3,5-ditert-butylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 176784293
9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170780323
9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 170671606
9-[4-[2,6-bis(4-tert-butylphenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170671561
2-[3-[3-[2-[4-(4-tert-butylphenyl)-2,3,5,6-tetradeuteriophenyl]-6-(3,5-ditert-butylphenyl)phenyl]benzimidazol-3-ium-1-yl]phenoxy]-9-(5-tert-butyl-2-pyridinyl)carbazole
CID 177083077
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170671759
6-(3,5-ditert-butylphenyl)-2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 164788741
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
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 168780514

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccc(C(C)(C)C)cn6)c5c4)c3)c3ccccc32)c([2H])c([2H])c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 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?
The InChIKey is MWDRMUJFIGYPNY-OCUCCEAMSA-N. The full InChI is InChI=1S/C70H70N4O/c1-67(2,3)50-33-31-47(32-34-50)46-27-29-48(30-28-46)57-22-18-23-58(49-39-52(69(7,8)9)41-53(40-49)70(10,11)12)66(57)73-45-72(62-25-15-16-26-63(62)73)54-19-17-20-55(42-54)75-56-36-37-60-59-21-13-14-24-61(59)74(64(60)43-56)65-38-35-51(44-71-65)68(4,5)6/h13-44H,45H2,1-12H3/i27D,28D,29D,30D.
What are the key properties of 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?
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 has a molecular weight of 987.38 g/mol, XLogP of 19.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177082890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).