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

C74H76N4O2 — CID 176641810

IUPAC3-[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
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1N1CN(c2cc(Oc3ccc4c5c6oc7ccccc7c6ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)c2ccccc21
InChIInChI=1S/C74H76N4O2/c1-44(2)53-23-19-24-54(45(3)4)68(53)60-27-21-28-61(69-55(46(5)6)25-20-26-56(69)47(7)8)71(60)77-43-76(62-29-16-17-30-63(62)77)50-38-49(74(12,13)14)39-52(41-50)79-51-32-33-59-65(42-51)78(67-40-48(36-37-75-67)73(9,10)11)64-35-34-58-57-22-15-18-31-66(57)80-72(58)70(59)64/h15-42,44-47H,43H2,1-14H3
InChIKeyOPJAOIKNHBVAJE-UHFFFAOYSA-N
MW1053.45 g/mol
LogP21.54
Rot. Bonds11

About 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

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 (PubChem CID 176641810) has the molecular formula C74H76N4O2 and a molecular weight of 1053.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID176641810
Molecular FormulaC74H76N4O2
Molecular Weight1053.45 g/mol
Exact Mass1052.60
IUPAC Name3-[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
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1N1CN(c2cc(Oc3ccc4c5c6oc7ccccc7c6ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)c2ccccc21
InChIInChI=1S/C74H76N4O2/c1-44(2)53-23-19-24-54(45(3)4)68(53)60-27-21-28-61(69-55(46(5)6)25-20-26-56(69)47(7)8)71(60)77-43-76(62-29-16-17-30-63(62)77)50-38-49(74(12,13)14)39-52(41-50)79-51-32-33-59-65(42-51)78(67-40-48(36-37-75-67)73(9,10)11)64-35-34-58-57-22-15-18-31-66(57)80-72(58)70(59)64/h15-42,44-47H,43H2,1-14H3
InChIKeyOPJAOIKNHBVAJE-UHFFFAOYSA-N
XLogP21.54
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.45
LogP ≤ 521.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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-[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
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
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(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-5-(4-tert-butyl-5-methyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 176642270
2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 165150142
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
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
3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline
CID 176783564

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1N1CN(c2cc(Oc3ccc4c5c6oc7ccccc7c6ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)C)c2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is OPJAOIKNHBVAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H76N4O2/c1-44(2)53-23-19-24-54(45(3)4)68(53)60-27-21-28-61(69-55(46(5)6)25-20-26-56(69)47(7)8)71(60)77-43-76(62-29-16-17-30-63(62)77)50-38-49(74(12,13)14)39-52(41-50)79-51-32-33-59-65(42-51)78(67-40-48(36-37-75-67)73(9,10)11)64-35-34-58-57-22-15-18-31-66(57)80-72(58)70(59)64/h15-42,44-47H,43H2,1-14H3.
What are the key properties of 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?
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 has a molecular weight of 1053.45 g/mol, XLogP of 21.54, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176641810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).