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

C39H33N5OSe — CID 168840770

IUPAC10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine
SMILESCC(C)(C)c1ccnc(N2c3cc(Oc4cccc(N5CN(c6ccccc6)c6ccccc65)c4)ccc3[Se]c3cccnc32)c1
InChIInChI=1S/C39H33N5OSe/c1-39(2,3)27-20-22-40-37(23-27)44-34-25-31(18-19-35(34)46-36-17-10-21-41-38(36)44)45-30-14-9-13-29(24-30)43-26-42(28-11-5-4-6-12-28)32-15-7-8-16-33(32)43/h4-25H,26H2,1-3H3
InChIKeyGZFMVSDMJKKKDA-UHFFFAOYSA-N
MW666.69 g/mol
LogP8.25
Rot. Bonds5

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

10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine (PubChem CID 168840770) has the molecular formula C39H33N5OSe and a molecular weight of 666.69 g/mol. Its IUPAC name is 10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine.

Molecular Properties

Compound Name10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine
PubChem CID168840770
Molecular FormulaC39H33N5OSe
Molecular Weight666.69 g/mol
Exact Mass667.19
IUPAC Name10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine
SMILESCC(C)(C)c1ccnc(N2c3cc(Oc4cccc(N5CN(c6ccccc6)c6ccccc65)c4)ccc3[Se]c3cccnc32)c1
InChIInChI=1S/C39H33N5OSe/c1-39(2,3)27-20-22-40-37(23-27)44-34-25-31(18-19-35(34)46-36-17-10-21-41-38(36)44)45-30-14-9-13-29(24-30)43-26-42(28-11-5-4-6-12-28)32-15-7-8-16-33(32)43/h4-25H,26H2,1-3H3
InChIKeyGZFMVSDMJKKKDA-UHFFFAOYSA-N
XLogP8.25
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.69
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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]benzotellurazine
CID 168840760
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
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
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
8-[3-[3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-10-(4-methyl-5-phenyl-2-pyridinyl)pyrido[3,2-b][1,4]benzoselenazine
CID 168840598
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]carbazole
CID 176782573
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-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676
11-[3-[3-(1-bicyclo[2.2.2]octanyl)-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 176783258
10-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-[1]benzothiolo[3,2-b]indole
CID 168857572
1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole
CID 166007124

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine?
The IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine (CID 168840770) is 10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine.
What is the SMILES notation for 10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine?
The canonical SMILES for 10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine is CC(C)(C)c1ccnc(N2c3cc(Oc4cccc(N5CN(c6ccccc6)c6ccccc65)c4)ccc3[Se]c3cccnc32)c1.
What is the InChIKey of 10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine?
The InChIKey is GZFMVSDMJKKKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N5OSe/c1-39(2,3)27-20-22-40-37(23-27)44-34-25-31(18-19-35(34)46-36-17-10-21-41-38(36)44)45-30-14-9-13-29(24-30)43-26-42(28-11-5-4-6-12-28)32-15-7-8-16-33(32)43/h4-25H,26H2,1-3H3.
What are the key properties of 10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine?
10-(4-tert-butyl-2-pyridinyl)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine has a molecular weight of 666.69 g/mol, XLogP of 8.25, 5 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)-8-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]pyrido[3,2-b][1,4]benzoselenazine is sourced from PubChem (CID 168840770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).