3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione

C70H116Br2N2O2Te2 — CID 176815175

IUPAC3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(Br)[te]2)cc2c1cc(-c1ccc(Br)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C70H116Br2N2O2Te2/c1-5-9-13-17-21-25-27-31-35-39-47-59(45-37-33-29-23-19-15-11-7-3)49-41-43-55-73-63-57-62(66-52-54-68(72)78-66)70(76)74(64(63)58-61(69(73)75)65-51-53-67(71)77-65)56-44-42-50-60(46-38-34-30-24-20-16-12-8-4)48-40-36-32-28-26-22-18-14-10-6-2/h51-54,57-60H,5-50,55-56H2,1-4H3
InChIKeyNAADRMGGTYGVNG-UHFFFAOYSA-N
MW1432.72 g/mol
LogP23.39
Rot. Bonds52

About 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione

3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione (PubChem CID 176815175) has the molecular formula C70H116Br2N2O2Te2 and a molecular weight of 1432.72 g/mol. Its IUPAC name is 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione.

Molecular Properties

Compound Name3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione
PubChem CID176815175
Molecular FormulaC70H116Br2N2O2Te2
Molecular Weight1432.72 g/mol
Exact Mass1434.55
IUPAC Name3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(Br)[te]2)cc2c1cc(-c1ccc(Br)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C70H116Br2N2O2Te2/c1-5-9-13-17-21-25-27-31-35-39-47-59(45-37-33-29-23-19-15-11-7-3)49-41-43-55-73-63-57-62(66-52-54-68(72)78-66)70(76)74(64(63)58-61(69(73)75)65-51-53-67(71)77-65)56-44-42-50-60(46-38-34-30-24-20-16-12-8-4)48-40-36-32-28-26-22-18-14-10-6-2/h51-54,57-60H,5-50,55-56H2,1-4H3
InChIKeyNAADRMGGTYGVNG-UHFFFAOYSA-N
XLogP23.39
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds52
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001432.72
LogP ≤ 523.39
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 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione?
The IUPAC name of 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione (CID 176815175) is 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione.
What is the SMILES notation for 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione?
The canonical SMILES for 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione is CCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(Br)[te]2)cc2c1cc(-c1ccc(Br)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione?
The InChIKey is NAADRMGGTYGVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H116Br2N2O2Te2/c1-5-9-13-17-21-25-27-31-35-39-47-59(45-37-33-29-23-19-15-11-7-3)49-41-43-55-73-63-57-62(66-52-54-68(72)78-66)70(76)74(64(63)58-61(69(73)75)65-51-53-67(71)77-65)56-44-42-50-60(46-38-34-30-24-20-16-12-8-4)48-40-36-32-28-26-22-18-14-10-6-2/h51-54,57-60H,5-50,55-56H2,1-4H3.
What are the key properties of 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione?
3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione has a molecular weight of 1432.72 g/mol, XLogP of 23.39, 52 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione is sourced from PubChem (CID 176815175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).