2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol

C69H70N4O2 — CID 169309306

IUPAC2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)cc(-c2nc3ccc4oc5cc(-c6ccccc6)ccc5c4c3n2C(C)(C)C)c1
InChIInChI=1S/C69H70N4O2/c1-41(2)45-34-46(36-47(35-45)64-70-55-31-33-58-60(62(55)73(64)69(12,13)14)51-30-28-44(37-59(51)75-58)42-22-17-15-18-23-42)50-26-21-27-57-61(50)71-65(53-39-49(67(6,7)8)40-54(63(53)74)68(9,10)11)72(57)56-32-29-48(66(3,4)5)38-52(56)43-24-19-16-20-25-43/h15-41,74H,1-14H3
InChIKeyIFGQCUXOQUASBL-UHFFFAOYSA-N
MW987.35 g/mol
LogP19.09
Rot. Bonds7

About 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol (PubChem CID 169309306) has the molecular formula C69H70N4O2 and a molecular weight of 987.35 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
PubChem CID169309306
Molecular FormulaC69H70N4O2
Molecular Weight987.35 g/mol
Exact Mass986.55
IUPAC Name2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)cc(-c2nc3ccc4oc5cc(-c6ccccc6)ccc5c4c3n2C(C)(C)C)c1
InChIInChI=1S/C69H70N4O2/c1-41(2)45-34-46(36-47(35-45)64-70-55-31-33-58-60(62(55)73(64)69(12,13)14)51-30-28-44(37-59(51)75-58)42-22-17-15-18-23-42)50-26-21-27-57-61(50)71-65(53-39-49(67(6,7)8)40-54(63(53)74)68(9,10)11)72(57)56-32-29-48(66(3,4)5)38-52(56)43-24-19-16-20-25-43/h15-41,74H,1-14H3
InChIKeyIFGQCUXOQUASBL-UHFFFAOYSA-N
XLogP19.09
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.35
LogP ≤ 519.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol with MolForge

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Related Compounds

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[17-[2,6-di(propan-2-yl)phenyl]-9,14-dioxa-17,19-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,20]tricosa-1(13),2(10),3,5,7,11,15(23),16(20),18,21-decaen-18-yl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 169309290
2-tert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-[3,5-di(propan-2-yl)phenyl]-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 176593368
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(6-propan-2-ylisoquinolin-1-yl)phenyl]benzimidazol-2-yl]phenol;platinum
CID 175405410
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153476868
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-(4-propan-2-ylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 167332447
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol
CID 140833244
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-15-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783662
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-fluorophenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164518281
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-methyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153477662
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153477494
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 153478380
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[8-(4-tert-butylphenyl)-1-phenyl-[1]benzofuro[2,3-e]benzimidazol-2-yl]benzene-6-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 169309211

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol (CID 169309306) is 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol is CC(C)c1cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)cc(-c2nc3ccc4oc5cc(-c6ccccc6)ccc5c4c3n2C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is IFGQCUXOQUASBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H70N4O2/c1-41(2)45-34-46(36-47(35-45)64-70-55-31-33-58-60(62(55)73(64)69(12,13)14)51-30-28-44(37-59(51)75-58)42-22-17-15-18-23-42)50-26-21-27-57-61(50)71-65(53-39-49(67(6,7)8)40-54(63(53)74)68(9,10)11)72(57)56-32-29-48(66(3,4)5)38-52(56)43-24-19-16-20-25-43/h15-41,74H,1-14H3.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 987.35 g/mol, XLogP of 19.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[3-(1-tert-butyl-8-phenyl-[1]benzofuro[3,2-e]benzimidazol-2-yl)-5-propan-2-ylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 169309306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).