8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine

C61H53N5OSe — CID 168840666

IUPAC8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine
SMILESCC(C)(C)c1ccnc(N2c3cc(Oc4cccc(N5CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)ccc3[Se]c3cc(-c4ccccc4)cnc32)c1
InChIInChI=1S/C61H53N5OSe/c1-60(2,3)45-31-32-62-57(36-45)66-54-38-49(29-30-55(54)68-56-33-44(39-63-59(56)66)41-19-10-7-11-20-41)67-48-26-18-25-47(37-48)64-40-65(53-28-17-16-27-52(53)64)58-50(42-21-12-8-13-22-42)34-46(61(4,5)6)35-51(58)43-23-14-9-15-24-43/h7-39H,40H2,1-6H3
InChIKeyQXNRYDDJSCXHPL-UHFFFAOYSA-N
MW951.09 g/mol
LogP14.55
Rot. Bonds8

About 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine

8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine (PubChem CID 168840666) has the molecular formula C61H53N5OSe and a molecular weight of 951.09 g/mol. Its IUPAC name is 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine.

Molecular Properties

Compound Name8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine
PubChem CID168840666
Molecular FormulaC61H53N5OSe
Molecular Weight951.09 g/mol
Exact Mass951.34
IUPAC Name8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine
SMILESCC(C)(C)c1ccnc(N2c3cc(Oc4cccc(N5CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)ccc3[Se]c3cc(-c4ccccc4)cnc32)c1
InChIInChI=1S/C61H53N5OSe/c1-60(2,3)45-31-32-62-57(36-45)66-54-38-49(29-30-55(54)68-56-33-44(39-63-59(56)66)41-19-10-7-11-20-41)67-48-26-18-25-47(37-48)64-40-65(53-28-17-16-27-52(53)64)58-50(42-21-12-8-13-22-42)34-46(61(4,5)6)35-51(58)43-23-14-9-15-24-43/h7-39H,40H2,1-6H3
InChIKeyQXNRYDDJSCXHPL-UHFFFAOYSA-N
XLogP14.55
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.09
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine with MolForge

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Related Compounds

10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine
CID 168840770
7-[3-[3-(3-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)pyrido[3,4-b][1,4]benzoselenazine
CID 168840526
11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 176782987
2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962
11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 176782441
2-[3-[6-tert-butyl-3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 177082709
3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(4-tert-butyl-2-pyridinyl)-14-methyl-6-aza-14-boratetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7,9,11-hexaene
CID 176843569
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-imidazo[4,5-b]pyridin-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)phenotellurazine
CID 168840596
3-[3-[3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-6,6-dimethyl-6λ4-selena-14-azatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene
CID 176843739
2-[3-[1-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782165
10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzotellurazine
CID 168840760
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)carbazole
CID 172545781

Frequently Asked Questions

What is the IUPAC name of 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine?
The IUPAC name of 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine (CID 168840666) is 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine.
What is the SMILES notation for 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine?
The canonical SMILES for 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine is CC(C)(C)c1ccnc(N2c3cc(Oc4cccc(N5CN(c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)c4)ccc3[Se]c3cc(-c4ccccc4)cnc32)c1.
What is the InChIKey of 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine?
The InChIKey is QXNRYDDJSCXHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H53N5OSe/c1-60(2,3)45-31-32-62-57(36-45)66-54-38-49(29-30-55(54)68-56-33-44(39-63-59(56)66)41-19-10-7-11-20-41)67-48-26-18-25-47(37-48)64-40-65(53-28-17-16-27-52(53)64)58-50(42-21-12-8-13-22-42)34-46(61(4,5)6)35-51(58)43-23-14-9-15-24-43/h7-39H,40H2,1-6H3.
What are the key properties of 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine?
8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine has a molecular weight of 951.09 g/mol, XLogP of 14.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine is sourced from PubChem (CID 168840666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).