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

C76H124N2O2SeTe2 — CID 176815212

IUPAC1,5-bis(5-decylheptadecyl)-3-[5-(5-methylselenophen-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(-c3ccc(C)[se]3)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C76H124N2O2SeTe2/c1-7-11-15-19-23-27-29-33-37-41-49-65(47-39-35-31-25-21-17-13-9-3)51-43-45-59-77-70-62-68(73-57-58-74(83-73)71-55-53-63(5)81-71)76(80)78(69(70)61-67(75(77)79)72-56-54-64(6)82-72)60-46-44-52-66(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2/h53-58,61-62,65-66H,7-52,59-60H2,1-6H3
InChIKeyBWMYZGCKHKODSY-UHFFFAOYSA-N
MW1432.00 g/mol
LogP23.21
Rot. Bonds53

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

1,5-bis(5-decylheptadecyl)-3-[5-(5-methylselenophen-2-yl)tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione (PubChem CID 176815212) has the molecular formula C76H124N2O2SeTe2 and a molecular weight of 1432.00 g/mol. Its IUPAC name is 1,5-bis(5-decylheptadecyl)-3-[5-(5-methylselenophen-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-(5-methylselenophen-2-yl)tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione
PubChem CID176815212
Molecular FormulaC76H124N2O2SeTe2
Molecular Weight1432.00 g/mol
Exact Mass1436.70
IUPAC Name1,5-bis(5-decylheptadecyl)-3-[5-(5-methylselenophen-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(-c3ccc(C)[se]3)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C76H124N2O2SeTe2/c1-7-11-15-19-23-27-29-33-37-41-49-65(47-39-35-31-25-21-17-13-9-3)51-43-45-59-77-70-62-68(73-57-58-74(83-73)71-55-53-63(5)81-71)76(80)78(69(70)61-67(75(77)79)72-56-54-64(6)82-72)60-46-44-52-66(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2/h53-58,61-62,65-66H,7-52,59-60H2,1-6H3
InChIKeyBWMYZGCKHKODSY-UHFFFAOYSA-N
XLogP23.21
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds53
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001432.00
LogP ≤ 523.21
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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Related Compounds

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
1,5-bis(5-decylheptadecyl)-3-[5-(7,7-dihexyl-10-methyl-5,9-diselenatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-4-yl)tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione
CID 176815158
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
3,7-bis(5-bromotellurophen-2-yl)-1,5-bis(5-decylheptadecyl)-1,5-naphthyridine-2,6-dione
CID 176815175
1,5-didodecyl-3,7-dithiophen-2-yl-1,5-naphthyridine-2,6-dione
CID 167583520
3-[5-[5-(3-fluorothiophen-2-yl)-4-iodothiophen-2-yl]-4-(2-octyldodecyl)thiophen-2-yl]-7-[5-methyl-4-(2-octyldodecyl)thiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione
CID 154607818
1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one
CID 176815229
CID 160624497
CID 160624497
6-dodecyl-2-[2-(6-dodecyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 122674536
6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783629
6,25,28,47-tetrachloro-10,21,32,43-tetrakis(3-hexylundecyl)-10,21,32,43-tetrazapentadecacyclo[39.7.1.14,8.115,19.134,38.02,39.03,14.05,48.016,37.017,26.018,23.027,36.030,35.045,49.012,52]dopentaconta-1,3,5,7,12(52),13,15(51),16,18,23,25,27,29,34,36,38(50),39,41(49),45,47-icosaene-9,11,20,22,31,33,42,44-octone
CID 102497919
20,26-di(heptadecyl)pentatetracontane
CID 102213068

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(5-decylheptadecyl)-3-[5-(5-methylselenophen-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-(5-methylselenophen-2-yl)tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione (CID 176815212) is 1,5-bis(5-decylheptadecyl)-3-[5-(5-methylselenophen-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-(5-methylselenophen-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-(5-methylselenophen-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(-c3ccc(C)[se]3)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 1,5-bis(5-decylheptadecyl)-3-[5-(5-methylselenophen-2-yl)tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione?
The InChIKey is BWMYZGCKHKODSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H124N2O2SeTe2/c1-7-11-15-19-23-27-29-33-37-41-49-65(47-39-35-31-25-21-17-13-9-3)51-43-45-59-77-70-62-68(73-57-58-74(83-73)71-55-53-63(5)81-71)76(80)78(69(70)61-67(75(77)79)72-56-54-64(6)82-72)60-46-44-52-66(48-40-36-32-26-22-18-14-10-4)50-42-38-34-30-28-24-20-16-12-8-2/h53-58,61-62,65-66H,7-52,59-60H2,1-6H3.
What are the key properties of 1,5-bis(5-decylheptadecyl)-3-[5-(5-methylselenophen-2-yl)tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione?
1,5-bis(5-decylheptadecyl)-3-[5-(5-methylselenophen-2-yl)tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione has a molecular weight of 1432.00 g/mol, XLogP of 23.21, 53 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-(5-methylselenophen-2-yl)tellurophen-2-yl]-7-(5-methyltellurophen-2-yl)-1,5-naphthyridine-2,6-dione is sourced from PubChem (CID 176815212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).