6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C59H64N4O — CID 157219317

IUPAC6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1cc2c(cc1C)N(c1cc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c1)CN2c1cccc(C(C)(C)C)c1
InChIInChI=1S/C59H64N4O/c1-38-28-53-54(29-39(38)2)62(37-61(53)45-21-17-20-41(30-45)56(3,4)5)46-31-44(59(12,13)40-18-15-14-16-19-40)32-48(35-46)64-47-23-24-49-50-33-42(57(6,7)8)22-25-51(50)63(52(49)36-47)55-34-43(26-27-60-55)58(9,10)11/h14-36H,37H2,1-13H3
InChIKeyMFBVWKPAKIRYCS-UHFFFAOYSA-N
MW845.19 g/mol
LogP16.05
Rot. Bonds7

About 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 157219317) has the molecular formula C59H64N4O and a molecular weight of 845.19 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID157219317
Molecular FormulaC59H64N4O
Molecular Weight845.19 g/mol
Exact Mass844.51
IUPAC Name6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCc1cc2c(cc1C)N(c1cc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c1)CN2c1cccc(C(C)(C)C)c1
InChIInChI=1S/C59H64N4O/c1-38-28-53-54(29-39(38)2)62(37-61(53)45-21-17-20-41(30-45)56(3,4)5)46-31-44(59(12,13)40-18-15-14-16-19-40)32-48(35-46)64-47-23-24-49-50-33-42(57(6,7)8)22-25-51(50)63(52(49)36-47)55-34-43(26-27-60-55)58(9,10)11/h14-36H,37H2,1-13H3
InChIKeyMFBVWKPAKIRYCS-UHFFFAOYSA-N
XLogP16.05
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.19
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158818639
2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 160624158
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 157150987
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 160881164
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 161429388
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-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 157150290
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
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
CID 162177244

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 157219317) is 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is Cc1cc2c(cc1C)N(c1cc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c1)CN2c1cccc(C(C)(C)C)c1.
What is the InChIKey of 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is MFBVWKPAKIRYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H64N4O/c1-38-28-53-54(29-39(38)2)62(37-61(53)45-21-17-20-41(30-45)56(3,4)5)46-31-44(59(12,13)40-18-15-14-16-19-40)32-48(35-46)64-47-23-24-49-50-33-42(57(6,7)8)22-25-51(50)63(52(49)36-47)55-34-43(26-27-60-55)58(9,10)11/h14-36H,37H2,1-13H3.
What are the key properties of 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 845.19 g/mol, XLogP of 16.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 157219317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).