2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole

C69H68N4O — CID 158552716

IUPAC2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
SMILESCC(C)(C)c1cc(Oc2ccc3c4cc(-c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)c3cc(C(C)(C)c4ccccc4)ccc32)c1
InChIInChI=1S/C69H68N4O/c1-66(2,3)51-33-34-70-65(42-51)73-61-31-27-48(46-21-15-12-16-22-46)37-60(61)59-30-29-57(44-63(59)73)74-58-40-54(68(7,8)9)39-56(43-58)71-45-72(55-36-49(47-23-17-13-18-24-47)35-53(38-55)67(4,5)6)64-41-52(28-32-62(64)71)69(10,11)50-25-19-14-20-26-50/h12-44H,45H2,1-11H3
InChIKeyOLYOFQONEALHPF-UHFFFAOYSA-N
MW969.33 g/mol
LogP18.77
Rot. Bonds9

About 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole

2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole (PubChem CID 158552716) has the molecular formula C69H68N4O and a molecular weight of 969.33 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole.

Molecular Properties

Compound Name2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
PubChem CID158552716
Molecular FormulaC69H68N4O
Molecular Weight969.33 g/mol
Exact Mass968.54
IUPAC Name2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
SMILESCC(C)(C)c1cc(Oc2ccc3c4cc(-c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)c3cc(C(C)(C)c4ccccc4)ccc32)c1
InChIInChI=1S/C69H68N4O/c1-66(2,3)51-33-34-70-65(42-51)73-61-31-27-48(46-21-15-12-16-22-46)37-60(61)59-30-29-57(44-63(59)73)74-58-40-54(68(7,8)9)39-56(43-58)71-45-72(55-36-49(47-23-17-13-18-24-47)35-53(38-55)67(4,5)6)64-41-52(28-32-62(64)71)69(10,11)50-25-19-14-20-26-50/h12-44H,45H2,1-11H3
InChIKeyOLYOFQONEALHPF-UHFFFAOYSA-N
XLogP18.77
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.33
LogP ≤ 518.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(3-tert-butylphenyl)-6-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 160849063
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 162165008
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159931893
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 159717140
2-tert-butyl-7-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158502494
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 158408346
9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 159537153
2-[3-tert-butyl-5-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 161005655
2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159366116
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 161253412
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162102791
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[4,5-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 158248853

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole?
The IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole (CID 158552716) is 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole.
What is the SMILES notation for 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole?
The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole is CC(C)(C)c1cc(Oc2ccc3c4cc(-c5ccccc5)ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cc(-c4ccccc4)cc(C(C)(C)C)c3)c3cc(C(C)(C)c4ccccc4)ccc32)c1.
What is the InChIKey of 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole?
The InChIKey is OLYOFQONEALHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H68N4O/c1-66(2,3)51-33-34-70-65(42-51)73-61-31-27-48(46-21-15-12-16-22-46)37-60(61)59-30-29-57(44-63(59)73)74-58-40-54(68(7,8)9)39-56(43-58)71-45-72(55-36-49(47-23-17-13-18-24-47)35-53(38-55)67(4,5)6)64-41-52(28-32-62(64)71)69(10,11)50-25-19-14-20-26-50/h12-44H,45H2,1-11H3.
What are the key properties of 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole?
2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole has a molecular weight of 969.33 g/mol, XLogP of 18.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole is sourced from PubChem (CID 158552716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).