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

C69H76N4O — CID 158107969

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cccc(Oc3cc(C(C)(C)c4ccccc4)c4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c1)CN2c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C69H76N4O/c1-44(2)55-28-22-29-56(45(3)4)64(55)46-31-32-60-61(35-46)71(43-72(60)52-37-49(67(8,9)10)36-50(38-52)68(11,12)13)51-25-21-26-53(40-51)74-54-41-58(69(14,15)47-23-17-16-18-24-47)65-57-27-19-20-30-59(57)73(62(65)42-54)63-39-48(33-34-70-63)66(5,6)7/h16-42,44-45H,43H2,1-15H3
InChIKeyQALQADGQVOZTIY-UHFFFAOYSA-N
MW977.39 g/mol
LogP19.35
Rot. Bonds10

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole (PubChem CID 158107969) has the molecular formula C69H76N4O and a molecular weight of 977.39 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
PubChem CID158107969
Molecular FormulaC69H76N4O
Molecular Weight977.39 g/mol
Exact Mass976.60
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cccc(Oc3cc(C(C)(C)c4ccccc4)c4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c1)CN2c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C69H76N4O/c1-44(2)55-28-22-29-56(45(3)4)64(55)46-31-32-60-61(35-46)71(43-72(60)52-37-49(67(8,9)10)36-50(38-52)68(11,12)13)51-25-21-26-53(40-51)74-54-41-58(69(14,15)47-23-17-16-18-24-47)65-57-27-19-20-30-59(57)73(62(65)42-54)63-39-48(33-34-70-63)66(5,6)7/h16-42,44-45H,43H2,1-15H3
InChIKeyQALQADGQVOZTIY-UHFFFAOYSA-N
XLogP19.35
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.39
LogP ≤ 519.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 158904656
9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 158904655
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158430502
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-6-[2,4,6-tri(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155650741
9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole
CID 159831673
4-tert-butyl-2-[3-[3-[3-tert-butyl-5-(2-phenylpropan-2-yl)phenyl]-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157082867
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 157225514
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-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 160699173
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159582782
2-[3-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159303635
2-[3-(2-tert-butyl-6-propan-2-ylphenyl)-5-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 168830495

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole (CID 158107969) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole is CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cccc(Oc3cc(C(C)(C)c4ccccc4)c4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c1)CN2c1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole?
The InChIKey is QALQADGQVOZTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H76N4O/c1-44(2)55-28-22-29-56(45(3)4)64(55)46-31-32-60-61(35-46)71(43-72(60)52-37-49(67(8,9)10)36-50(38-52)68(11,12)13)51-25-21-26-53(40-51)74-54-41-58(69(14,15)47-23-17-16-18-24-47)65-57-27-19-20-30-59(57)73(62(65)42-54)63-39-48(33-34-70-63)66(5,6)7/h16-42,44-45H,43H2,1-15H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole has a molecular weight of 977.39 g/mol, XLogP of 19.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-4-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 158107969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).