3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole

C82H92N4O2 — CID 176641760

IUPAC3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(C)c1cc(Oc2ccc3c4c5oc6ccccc6c5ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)cc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)c1
InChIInChI=1S/C82H92N4O2/c1-76(2,3)52-34-35-83-72(46-52)86-69-33-32-63-62-26-22-25-29-71(62)88-75(63)73(69)64-31-30-60(48-70(64)86)87-61-43-57(81(16,17)18)42-59(47-61)84-49-85(68-28-24-23-27-67(68)84)74-65(50-36-53(77(4,5)6)40-54(37-50)78(7,8)9)44-58(82(19,20)21)45-66(74)51-38-55(79(10,11)12)41-56(39-51)80(13,14)15/h22-48H,49H2,1-21H3
InChIKeyCTUVFKJTRPKRMM-UHFFFAOYSA-N
MW1165.66 g/mol
LogP23.53
Rot. Bonds7

About 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole

3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 176641760) has the molecular formula C82H92N4O2 and a molecular weight of 1165.66 g/mol. Its IUPAC name is 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
PubChem CID176641760
Molecular FormulaC82H92N4O2
Molecular Weight1165.66 g/mol
Exact Mass1164.72
IUPAC Name3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(C)c1cc(Oc2ccc3c4c5oc6ccccc6c5ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)cc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)c1
InChIInChI=1S/C82H92N4O2/c1-76(2,3)52-34-35-83-72(46-52)86-69-33-32-63-62-26-22-25-29-71(62)88-75(63)73(69)64-31-30-60(48-70(64)86)87-61-43-57(81(16,17)18)42-59(47-61)84-49-85(68-28-24-23-27-67(68)84)74-65(50-36-53(77(4,5)6)40-54(37-50)78(7,8)9)44-58(82(19,20)21)45-66(74)51-38-55(79(10,11)12)41-56(39-51)80(13,14)15/h22-48H,49H2,1-21H3
InChIKeyCTUVFKJTRPKRMM-UHFFFAOYSA-N
XLogP23.53
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001165.66
LogP ≤ 523.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

3-[3-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-(2,6-ditert-butylphenyl)phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641839
3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole-10-carbonitrile
CID 176641825
3-[3-[3-[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641810
5-(4-tert-butyl-2-pyridinyl)-3-[3-tert-butyl-5-[3-[3,4,5-trimethyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 176642372
5-(4-tert-butyl-2-pyridinyl)-3-[3-(2,6-ditert-butylphenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 176642193
10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-phenylphenoxy]-[1]benzofuro[3,2-b]indole
CID 168857753
2-[3-tert-butyl-5-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-(3,5-difluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172531321
3-[3-[3-[2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-6-deuterio-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176641735
3-[3-(2,6-ditert-butylphenyl)-5-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 176642003
3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-c]carbazole
CID 176642392
5-(4-tert-butyl-2-pyridinyl)-3-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 176641804
2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 165150142

Frequently Asked Questions

What is the IUPAC name of 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole (CID 176641760) is 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole is CC(C)(C)c1cc(Oc2ccc3c4c5oc6ccccc6c5ccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)cc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc32)c1.
What is the InChIKey of 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is CTUVFKJTRPKRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H92N4O2/c1-76(2,3)52-34-35-83-72(46-52)86-69-33-32-63-62-26-22-25-29-71(62)88-75(63)73(69)64-31-30-60(48-70(64)86)87-61-43-57(81(16,17)18)42-59(47-61)84-49-85(68-28-24-23-27-67(68)84)74-65(50-36-53(77(4,5)6)40-54(37-50)78(7,8)9)44-58(82(19,20)21)45-66(74)51-38-55(79(10,11)12)41-56(39-51)80(13,14)15/h22-48H,49H2,1-21H3.
What are the key properties of 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole?
3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1165.66 g/mol, XLogP of 23.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-tert-butyl-5-[3-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 176641760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).