1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione

C94H152N2O2Se2Te2 — CID 176815201

IUPAC1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(C)[te]2)cc2c1cc(-c1ccc(-c3cc(CCCCCC)c(/C=C/c4[se]c(C)cc4CCCCCC)[se]3)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C94H152N2O2Se2Te2/c1-9-15-21-27-31-35-37-41-45-49-59-79(57-47-43-39-33-29-23-17-11-3)61-53-55-71-95-86-76-84(91-69-70-92(102-91)89-74-82(64-52-26-20-14-6)88(100-89)67-66-87-81(73-77(7)99-87)63-51-25-19-13-5)94(98)96(85(86)75-83(93(95)97)90-68-65-78(8)101-90)72-56-54-62-80(58-48-44-40-34-30-24-18-12-4)60-50-46-42-38-36-32-28-22-16-10-2/h65-70,73-76,79-80H,9-64,71-72H2,1-8H3/b67-66+
InChIKeyCDBLBXMCSIDZMA-OKGUBMGJSA-N
MW1755.38 g/mol
LogP28.68
Rot. Bonds65

About 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione

1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione (PubChem CID 176815201) has the molecular formula C94H152N2O2Se2Te2 and a molecular weight of 1755.38 g/mol. Its IUPAC name is 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione.

Molecular Properties

Compound Name1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione
PubChem CID176815201
Molecular FormulaC94H152N2O2Se2Te2
Molecular Weight1755.38 g/mol
Exact Mass1760.83
IUPAC Name1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(C)[te]2)cc2c1cc(-c1ccc(-c3cc(CCCCCC)c(/C=C/c4[se]c(C)cc4CCCCCC)[se]3)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C94H152N2O2Se2Te2/c1-9-15-21-27-31-35-37-41-45-49-59-79(57-47-43-39-33-29-23-17-11-3)61-53-55-71-95-86-76-84(91-69-70-92(102-91)89-74-82(64-52-26-20-14-6)88(100-89)67-66-87-81(73-77(7)99-87)63-51-25-19-13-5)94(98)96(85(86)75-83(93(95)97)90-68-65-78(8)101-90)72-56-54-62-80(58-48-44-40-34-30-24-18-12-4)60-50-46-42-38-36-32-28-22-16-10-2/h65-70,73-76,79-80H,9-64,71-72H2,1-8H3/b67-66+
InChIKeyCDBLBXMCSIDZMA-OKGUBMGJSA-N
XLogP28.68
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds65
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001755.38
LogP ≤ 528.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione?
The IUPAC name of 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione (CID 176815201) is 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione.
What is the SMILES notation for 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione?
The canonical SMILES for 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione is CCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(C)[te]2)cc2c1cc(-c1ccc(-c3cc(CCCCCC)c(/C=C/c4[se]c(C)cc4CCCCCC)[se]3)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione?
The InChIKey is CDBLBXMCSIDZMA-OKGUBMGJSA-N. The full InChI is InChI=1S/C94H152N2O2Se2Te2/c1-9-15-21-27-31-35-37-41-45-49-59-79(57-47-43-39-33-29-23-17-11-3)61-53-55-71-95-86-76-84(91-69-70-92(102-91)89-74-82(64-52-26-20-14-6)88(100-89)67-66-87-81(73-77(7)99-87)63-51-25-19-13-5)94(98)96(85(86)75-83(93(95)97)90-68-65-78(8)101-90)72-56-54-62-80(58-48-44-40-34-30-24-18-12-4)60-50-46-42-38-36-32-28-22-16-10-2/h65-70,73-76,79-80H,9-64,71-72H2,1-8H3/b67-66+.
What are the key properties of 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione?
1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione has a molecular weight of 1755.38 g/mol, XLogP of 28.68, 65 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(5-decylheptadecyl)-3-[5-[4-hexyl-5-[(E)-2-(3-hexyl-5-methylselenophen-2-yl)ethenyl]selenophen-2-yl]tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione is sourced from PubChem (CID 176815201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).