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

C93H150N2O2Se2Te2 — CID 176815158

IUPAC1,5-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
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(C)[te]2)cc2c1cc(-c1ccc(-c3cc4c([se]3)C(CCCCCC)(CCCCCC)c3[se]c(C)cc3-4)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C93H150N2O2Se2Te2/c1-9-15-21-27-31-35-37-41-45-49-59-77(57-47-43-39-33-29-23-17-11-3)61-51-55-69-94-84-73-82(87-65-66-88(101-87)85-74-80-79-71-75(7)98-89(79)93(90(80)99-85,67-53-25-19-13-5)68-54-26-20-14-6)92(97)95(83(84)72-81(91(94)96)86-64-63-76(8)100-86)70-56-52-62-78(58-48-44-40-34-30-24-18-12-4)60-50-46-42-38-36-32-28-22-16-10-2/h63-66,71-74,77-78H,9-62,67-70H2,1-8H3
InChIKeyXFJNVCCUNZDDQB-UHFFFAOYSA-N
MW1741.35 g/mol
LogP28.47
Rot. Bonds63

About 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

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 (PubChem CID 176815158) has the molecular formula C93H150N2O2Se2Te2 and a molecular weight of 1741.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,5-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
PubChem CID176815158
Molecular FormulaC93H150N2O2Se2Te2
Molecular Weight1741.35 g/mol
Exact Mass1746.82
IUPAC Name1,5-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
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(C)[te]2)cc2c1cc(-c1ccc(-c3cc4c([se]3)C(CCCCCC)(CCCCCC)c3[se]c(C)cc3-4)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C93H150N2O2Se2Te2/c1-9-15-21-27-31-35-37-41-45-49-59-77(57-47-43-39-33-29-23-17-11-3)61-51-55-69-94-84-73-82(87-65-66-88(101-87)85-74-80-79-71-75(7)98-89(79)93(90(80)99-85,67-53-25-19-13-5)68-54-26-20-14-6)92(97)95(83(84)72-81(91(94)96)86-64-63-76(8)100-86)70-56-52-62-78(58-48-44-40-34-30-24-18-12-4)60-50-46-42-38-36-32-28-22-16-10-2/h63-66,71-74,77-78H,9-62,67-70H2,1-8H3
InChIKeyXFJNVCCUNZDDQB-UHFFFAOYSA-N
XLogP28.47
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds63
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001741.35
LogP ≤ 528.47
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'}

Analyze 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 with MolForge

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Related Compounds

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
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-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
5,5,15,25,25-pentahexyl-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene
CID 102171788
1-(5-decylheptadecyl)-6-methoxy-1,5-naphthyridin-2-one
CID 176815229
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-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
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
2,9-bis(2-butyloctyl)-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
CID 102220061

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCC(CCCCCCCCCC)CCCCn1c(=O)c(-c2ccc(C)[te]2)cc2c1cc(-c1ccc(-c3cc4c([se]3)C(CCCCCC)(CCCCCC)c3[se]c(C)cc3-4)[te]1)c(=O)n2CCCCC(CCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 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?
The InChIKey is XFJNVCCUNZDDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H150N2O2Se2Te2/c1-9-15-21-27-31-35-37-41-45-49-59-77(57-47-43-39-33-29-23-17-11-3)61-51-55-69-94-84-73-82(87-65-66-88(101-87)85-74-80-79-71-75(7)98-89(79)93(90(80)99-85,67-53-25-19-13-5)68-54-26-20-14-6)92(97)95(83(84)72-81(91(94)96)86-64-63-76(8)100-86)70-56-52-62-78(58-48-44-40-34-30-24-18-12-4)60-50-46-42-38-36-32-28-22-16-10-2/h63-66,71-74,77-78H,9-62,67-70H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1741.35 g/mol, XLogP of 28.47, 63 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-(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 is sourced from PubChem (CID 176815158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).