1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione

C80H126N2O2S2Te2 — CID 176815154

IUPAC1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(C)[te]2)cc2c1cc(-c1ccc(-c3ccc(-c4ccc(C)s4)s3)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C80H126N2O2S2Te2/c1-7-11-15-19-23-27-29-33-37-41-49-67(47-39-35-31-25-21-17-13-9-3)51-43-45-61-81-72-64-70(77-59-60-78(88-77)75-57-56-74(86-75)73-55-53-65(5)85-73)80(84)82(71(72)63-69(79(81)83)76-58-54-66(6)87-76)62-46-44-52-68(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2/h53-60,63-64,67-68H,7-52,61-62H2,1-6H3
InChIKeyZDWAVKRNEDPWHK-UHFFFAOYSA-N
MW1467.23 g/mol
LogP25.94
Rot. Bonds54

About 1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione

1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione (PubChem CID 176815154) has the molecular formula C80H126N2O2S2Te2 and a molecular weight of 1467.23 g/mol. Its IUPAC name is 1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione.

Molecular Properties

Compound Name1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione
PubChem CID176815154
Molecular FormulaC80H126N2O2S2Te2
Molecular Weight1467.23 g/mol
Exact Mass1470.74
IUPAC Name1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(C)[te]2)cc2c1cc(-c1ccc(-c3ccc(-c4ccc(C)s4)s3)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C80H126N2O2S2Te2/c1-7-11-15-19-23-27-29-33-37-41-49-67(47-39-35-31-25-21-17-13-9-3)51-43-45-61-81-72-64-70(77-59-60-78(88-77)75-57-56-74(86-75)73-55-53-65(5)85-73)80(84)82(71(72)63-69(79(81)83)76-58-54-66(6)87-76)62-46-44-52-68(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2/h53-60,63-64,67-68H,7-52,61-62H2,1-6H3
InChIKeyZDWAVKRNEDPWHK-UHFFFAOYSA-N
XLogP25.94
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds54
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001467.23
LogP ≤ 525.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione?
The IUPAC name of 1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione (CID 176815154) is 1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione.
What is the SMILES notation for 1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione?
The canonical SMILES for 1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione is CCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(C)[te]2)cc2c1cc(-c1ccc(-c3ccc(-c4ccc(C)s4)s3)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione?
The InChIKey is ZDWAVKRNEDPWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H126N2O2S2Te2/c1-7-11-15-19-23-27-29-33-37-41-49-67(47-39-35-31-25-21-17-13-9-3)51-43-45-61-81-72-64-70(77-59-60-78(88-77)75-57-56-74(86-75)73-55-53-65(5)85-73)80(84)82(71(72)63-69(79(81)83)76-58-54-66(6)87-76)62-46-44-52-68(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2/h53-60,63-64,67-68H,7-52,61-62H2,1-6H3.
What are the key properties of 1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione?
1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione has a molecular weight of 1467.23 g/mol, XLogP of 25.94, 54 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(5-decylheptadecyl)-3-(5-methyltellurophen-2-yl)-7-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]tellurophen-2-yl]-1,5-naphthyridine-2,6-dione is sourced from PubChem (CID 176815154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).