2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

C50H44N4O2 — CID 165150142

IUPAC2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cccc4oc5ccccc5c34)c3ccccc32)c1
InChIInChI=1S/C50H44N4O2/c1-49(2,3)32-24-25-51-47(28-32)54-40-16-9-7-14-37(40)38-23-22-35(30-44(38)54)55-36-27-33(50(4,5)6)26-34(29-36)52-31-53(42-18-11-10-17-41(42)52)43-19-13-21-46-48(43)39-15-8-12-20-45(39)56-46/h7-30H,31H2,1-6H3
InChIKeyAGXFJSXASRFUCR-UHFFFAOYSA-N
MW732.93 g/mol
LogP13.71
Rot. Bonds5

About 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 165150142) has the molecular formula C50H44N4O2 and a molecular weight of 732.93 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
PubChem CID165150142
Molecular FormulaC50H44N4O2
Molecular Weight732.93 g/mol
Exact Mass732.35
IUPAC Name2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
SMILESCC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cccc4oc5ccccc5c34)c3ccccc32)c1
InChIInChI=1S/C50H44N4O2/c1-49(2,3)32-24-25-51-47(28-32)54-40-16-9-7-14-37(40)38-23-22-35(30-44(38)54)55-36-27-33(50(4,5)6)26-34(29-36)52-31-53(42-18-11-10-17-41(42)52)43-19-13-21-46-48(43)39-15-8-12-20-45(39)56-46/h7-30H,31H2,1-6H3
InChIKeyAGXFJSXASRFUCR-UHFFFAOYSA-N
XLogP13.71
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-1-methyl-2H-[1]benzofuro[3,2-e]benzimidazole
CID 155794780
1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-phenyl-2H-[1]benzofuro[3,2-f]benzimidazole
CID 155794776
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162102791
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782820
2-[3-tert-butyl-5-[4,5-ditert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 161189296
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole
CID 158770762
2-[3-tert-butyl-5-[3-(3-tert-butyl-4-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651286
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The IUPAC name of 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 165150142) is 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cccc4oc5ccccc5c34)c3ccccc32)c1.
What is the InChIKey of 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
The InChIKey is AGXFJSXASRFUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N4O2/c1-49(2,3)32-24-25-51-47(28-32)54-40-16-9-7-14-37(40)38-23-22-35(30-44(38)54)55-36-27-33(50(4,5)6)26-34(29-36)52-31-53(42-18-11-10-17-41(42)52)43-19-13-21-46-48(43)39-15-8-12-20-45(39)56-46/h7-30H,31H2,1-6H3.
What are the key properties of 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole?
2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 732.93 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 165150142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).