2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole

C74H62N4O — CID 168780490

IUPAC2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccccc3)c2N2CN(c3cccc(Oc4cc5c(cc4-c4ccccc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)c3)c3ccccc32)cc1
InChIInChI=1S/C74H62N4O/c1-73(2,3)56-40-37-54(38-41-56)60-34-22-33-59(51-25-13-8-14-26-51)72(60)77-49-76(67-35-19-20-36-68(67)77)57-31-21-32-58(44-57)79-70-47-69-63(45-61(70)52-27-15-9-16-28-52)62-43-55(50-23-11-7-12-24-50)39-42-66(62)78(69)71-46-65(74(4,5)6)64(48-75-71)53-29-17-10-18-30-53/h7-48H,49H2,1-6H3
InChIKeyBWONGIBENGBUMR-UHFFFAOYSA-N
MW1023.34 g/mol
LogP20.15
Rot. Bonds10

About 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole

2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole (PubChem CID 168780490) has the molecular formula C74H62N4O and a molecular weight of 1023.34 g/mol. Its IUPAC name is 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
PubChem CID168780490
Molecular FormulaC74H62N4O
Molecular Weight1023.34 g/mol
Exact Mass1022.49
IUPAC Name2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccccc3)c2N2CN(c3cccc(Oc4cc5c(cc4-c4ccccc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)c3)c3ccccc32)cc1
InChIInChI=1S/C74H62N4O/c1-73(2,3)56-40-37-54(38-41-56)60-34-22-33-59(51-25-13-8-14-26-51)72(60)77-49-76(67-35-19-20-36-68(67)77)57-31-21-32-58(44-57)79-70-47-69-63(45-61(70)52-27-15-9-16-28-52)62-43-55(50-23-11-7-12-24-50)39-42-66(62)78(69)71-46-65(74(4,5)6)64(48-75-71)53-29-17-10-18-30-53/h7-48H,49H2,1-6H3
InChIKeyBWONGIBENGBUMR-UHFFFAOYSA-N
XLogP20.15
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.34
LogP ≤ 520.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole with MolForge

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Related Compounds

9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 168780514
2-[5-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]-2,3,4-trideuteriophenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
CID 168780783
2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-3,6-diphenyl-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780625
9-[4-tert-butyl-5-(3-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3-tert-butylphenyl)-6-[4-(4-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083076
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
2-[3-tert-butyl-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
CID 168780463
2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole
CID 168799742
9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164727116
6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727384
2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole
CID 176756903

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?
The IUPAC name of 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole (CID 168780490) is 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole.
What is the SMILES notation for 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?
The canonical SMILES for 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole is CC(C)(C)c1ccc(-c2cccc(-c3ccccc3)c2N2CN(c3cccc(Oc4cc5c(cc4-c4ccccc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)c(-c5ccccc5)cn4)c3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?
The InChIKey is BWONGIBENGBUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62N4O/c1-73(2,3)56-40-37-54(38-41-56)60-34-22-33-59(51-25-13-8-14-26-51)72(60)77-49-76(67-35-19-20-36-68(67)77)57-31-21-32-58(44-57)79-70-47-69-63(45-61(70)52-27-15-9-16-28-52)62-43-55(50-23-11-7-12-24-50)39-42-66(62)78(69)71-46-65(74(4,5)6)64(48-75-71)53-29-17-10-18-30-53/h7-48H,49H2,1-6H3.
What are the key properties of 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole?
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole has a molecular weight of 1023.34 g/mol, XLogP of 20.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole is sourced from PubChem (CID 168780490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).