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

C68H62N4O2 — CID 168857753

IUPAC10-(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
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2N2CN(c3cc(Oc4ccc5c6oc7ccccc7c6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4ccccc4)c3)c3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C68H62N4O2/c1-66(2,3)48-33-34-69-62(40-48)72-60-42-52(31-32-56(60)65-64(72)57-25-16-19-30-61(57)74-65)73-53-38-46(44-21-12-10-13-22-44)37-51(41-53)70-43-71(59-29-18-17-28-58(59)70)63-54(45-23-14-11-15-24-45)26-20-27-55(63)47-35-49(67(4,5)6)39-50(36-47)68(7,8)9/h10-42H,43H2,1-9H3
InChIKeyJINFHILFLFZROX-UHFFFAOYSA-N
MW967.27 g/mol
LogP18.86
Rot. Bonds8

About 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

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 (PubChem CID 168857753) has the molecular formula C68H62N4O2 and a molecular weight of 967.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID168857753
Molecular FormulaC68H62N4O2
Molecular Weight967.27 g/mol
Exact Mass966.49
IUPAC Name10-(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
SMILESCC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2N2CN(c3cc(Oc4ccc5c6oc7ccccc7c6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4ccccc4)c3)c3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C68H62N4O2/c1-66(2,3)48-33-34-69-62(40-48)72-60-42-52(31-32-56(60)65-64(72)57-25-16-19-30-61(57)74-65)73-53-38-46(44-21-12-10-13-22-44)37-51(41-53)70-43-71(59-29-18-17-28-58(59)70)63-54(45-23-14-11-15-24-45)26-20-27-55(63)47-35-49(67(4,5)6)39-50(36-47)68(7,8)9/h10-42H,43H2,1-9H3
InChIKeyJINFHILFLFZROX-UHFFFAOYSA-N
XLogP18.86
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.27
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-[3-[3-[2,6-bis[3-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-isocyanophenoxy]-10-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-b]indole
CID 168857426
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
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(4-fluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-phenylphenoxy]carbazole
CID 172530566
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2,6-diphenylphenyl)phenoxy]carbazole
CID 172530728
16-(4-tert-butyl-2-pyridinyl)-19-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-24-thia-16-azahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20-undecaene
CID 168857606
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(4-fluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]carbazole
CID 172531195
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentafluorophenyl)-4-phenylphenyl]-2H-benzimidazol-1-yl]-5-(2-methylphenyl)phenoxy]carbazole
CID 172530527
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
2-[3-[3-[2,6-bis(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]-5-(3,5-dimethylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172530850

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2cccc(-c3ccccc3)c2N2CN(c3cc(Oc4ccc5c6oc7ccccc7c6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4ccccc4)c3)c3ccccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is JINFHILFLFZROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H62N4O2/c1-66(2,3)48-33-34-69-62(40-48)72-60-42-52(31-32-56(60)65-64(72)57-25-16-19-30-61(57)74-65)73-53-38-46(44-21-12-10-13-22-44)37-51(41-53)70-43-71(59-29-18-17-28-58(59)70)63-54(45-23-14-11-15-24-45)26-20-27-55(63)47-35-49(67(4,5)6)39-50(36-47)68(7,8)9/h10-42H,43H2,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 967.27 g/mol, XLogP of 18.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168857753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).