2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline

C46H55F3N2S2Se2 — CID 58090514

IUPAC2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline
SMILESCCCCCCCCCCc1nc2c(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)[se]5)s4)s3)ccc(-c3ccc(C)[se]3)c2nc1CCCCCCCCCC
InChIInChI=1S/C46H55F3N2S2Se2/c1-4-6-8-10-12-14-16-18-20-35-36(21-19-17-15-13-11-9-7-5-2)51-45-34(41-29-22-32(3)54-41)24-23-33(44(45)50-35)37-25-26-38(52-37)39-27-28-40(53-39)42-30-31-43(55-42)46(47,48)49/h22-31H,4-21H2,1-3H3
InChIKeyNKHWTNJCVNQZGW-UHFFFAOYSA-N
MW915.01 g/mol
LogP15.23
Rot. Bonds22

About 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline

2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline (PubChem CID 58090514) has the molecular formula C46H55F3N2S2Se2 and a molecular weight of 915.01 g/mol. Its IUPAC name is 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline.

Molecular Properties

Compound Name2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline
PubChem CID58090514
Molecular FormulaC46H55F3N2S2Se2
Molecular Weight915.01 g/mol
Exact Mass916.21
IUPAC Name2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline
SMILESCCCCCCCCCCc1nc2c(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)[se]5)s4)s3)ccc(-c3ccc(C)[se]3)c2nc1CCCCCCCCCC
InChIInChI=1S/C46H55F3N2S2Se2/c1-4-6-8-10-12-14-16-18-20-35-36(21-19-17-15-13-11-9-7-5-2)51-45-34(41-29-22-32(3)54-41)24-23-33(44(45)50-35)37-25-26-38(52-37)39-27-28-40(53-39)42-30-31-43(55-42)46(47,48)49/h22-31H,4-21H2,1-3H3
InChIKeyNKHWTNJCVNQZGW-UHFFFAOYSA-N
XLogP15.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.01
LogP ≤ 515.23
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

2,3-Bis(thiophen-3-yl)quinoxaline
CID 13016724
5,8-Dithien-2-yl-2,3-diphenylquinoxaline
CID 58273761
2,3-Dimethyl-5,8-dithien-2-ylquinoxaline
CID 58500697
5-Methyl-2,3-di(thiophen-2-yl)quinoxaline
CID 69714645
(6,7-Bis(5-(2-hexyldecyl)thiophen-2-yl)-4,9-di(thiophen-2-yl)-[1,2,5]thiadiazolo[3,4-g]quinoxaline)
CID 166643342
6,7-Difluoro-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-2,3-bis(4-methylphenyl)-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500491
6,7-Difluoro-5-[5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline
CID 58500493
7-Methyl-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenyl-6-(trifluoromethyl)quinoxaline
CID 58500504
2,3-Bis(4-fluorophenyl)-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)quinoxaline
CID 58500513
2-[5-[2,3-Bis(4-fluorophenyl)-8-(5-methylthiophen-2-yl)quinoxalin-5-yl]thiophen-2-yl]-7-methyl-9-octylcarbazole
CID 58500519
5-(4,5-Dimethylthiophen-2-yl)-2,3-bis(4-fluorophenyl)-8-[4-methyl-5-(7-methyl-5,5-dioctylbenzo[b][1]benzosilol-3-yl)thiophen-2-yl]quinoxaline
CID 58500542
6,7-Difluoro-5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)-2,3-diphenylquinoxaline
CID 58500552

Frequently Asked Questions

What is the IUPAC name of 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline?
The IUPAC name of 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline (CID 58090514) is 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline.
What is the SMILES notation for 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline?
The canonical SMILES for 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline is CCCCCCCCCCc1nc2c(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)[se]5)s4)s3)ccc(-c3ccc(C)[se]3)c2nc1CCCCCCCCCC.
What is the InChIKey of 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline?
The InChIKey is NKHWTNJCVNQZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H55F3N2S2Se2/c1-4-6-8-10-12-14-16-18-20-35-36(21-19-17-15-13-11-9-7-5-2)51-45-34(41-29-22-32(3)54-41)24-23-33(44(45)50-35)37-25-26-38(52-37)39-27-28-40(53-39)42-30-31-43(55-42)46(47,48)49/h22-31H,4-21H2,1-3H3.
What are the key properties of 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline?
2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline has a molecular weight of 915.01 g/mol, XLogP of 15.23, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-didecyl-5-(5-methylselenophen-2-yl)-8-[5-[5-[5-(trifluoromethyl)selenophen-2-yl]thiophen-2-yl]thiophen-2-yl]quinoxaline is sourced from PubChem (CID 58090514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).