7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine

C48H56N2O2S4 — CID 102340610

IUPAC7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine
SMILESCCCCCCCCCCOc1cc2nc3c(-c4ccc(-c5cccs5)s4)ccc(-c4ccc(-c5cccs5)s4)c3nc2cc1OCCCCCCCCCC
InChIInChI=1S/C48H56N2O2S4/c1-3-5-7-9-11-13-15-17-29-51-39-33-37-38(34-40(39)52-30-18-16-14-12-10-8-6-4-2)50-48-36(42-26-28-46(56-42)44-22-20-32-54-44)24-23-35(47(48)49-37)41-25-27-45(55-41)43-21-19-31-53-43/h19-28,31-34H,3-18,29-30H2,1-2H3
InChIKeyDLPVHTZPMIJGIY-UHFFFAOYSA-N
MW821.26 g/mol
LogP16.74
Rot. Bonds24

About 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine

7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine (PubChem CID 102340610) has the molecular formula C48H56N2O2S4 and a molecular weight of 821.26 g/mol. Its IUPAC name is 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine.

Molecular Properties

Compound Name7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine
PubChem CID102340610
Molecular FormulaC48H56N2O2S4
Molecular Weight821.26 g/mol
Exact Mass820.32
IUPAC Name7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine
SMILESCCCCCCCCCCOc1cc2nc3c(-c4ccc(-c5cccs5)s4)ccc(-c4ccc(-c5cccs5)s4)c3nc2cc1OCCCCCCCCCC
InChIInChI=1S/C48H56N2O2S4/c1-3-5-7-9-11-13-15-17-29-51-39-33-37-38(34-40(39)52-30-18-16-14-12-10-8-6-4-2)50-48-36(42-26-28-46(56-42)44-22-20-32-54-44)24-23-35(47(48)49-37)41-25-27-45(55-41)43-21-19-31-53-43/h19-28,31-34H,3-18,29-30H2,1-2H3
InChIKeyDLPVHTZPMIJGIY-UHFFFAOYSA-N
XLogP16.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.26
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[5-(4-octoxyphenyl)thiophen-2-yl]-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 118465093
2,12-dihexyl-7,17-bis(5-thiophen-2-ylthiophen-2-yl)-6,16-dithia-4,10,14,20-tetrazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,17,19-nonaene
CID 59467686
11-decoxy-2,3,6,7,12-pentahexoxyphenanthro[9,10-b]quinoxaline
CID 101484638
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
2-(2,6-dioctoxyphenyl)thiophene
CID 129070444
6,7,16,17,26,27-hexabutoxy-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 86222385
5,6-didodecoxy-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole
CID 102306399
2-[5-[5-(3,4-dioctyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3,4-dioctyl-5-thiophen-2-ylthiophene
CID 59188449
18,19-didodecoxy-3,6,9,12,15,22-hexazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene-4,5,10,11-tetracarbonitrile
CID 132565096
2-(2,5-dibutoxyphenyl)thiophene
CID 3633099
5-[4-dodecyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-8-[4-dodecyl-5-[5-(2,3,5,6-tetrafluoro-4-methylphenyl)thiophen-2-yl]thiophen-2-yl]-2,3-dithiophen-2-ylquinoxaline
CID 59718119
2-[2-hexoxy-5-methyl-4-(5-thiophen-2-ylthiophen-2-yl)cyclohexa-1,3-dien-1-yl]-5-thiophen-2-ylthiophene
CID 90464303

Frequently Asked Questions

What is the IUPAC name of 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine?
The IUPAC name of 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine (CID 102340610) is 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine.
What is the SMILES notation for 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine?
The canonical SMILES for 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine is CCCCCCCCCCOc1cc2nc3c(-c4ccc(-c5cccs5)s4)ccc(-c4ccc(-c5cccs5)s4)c3nc2cc1OCCCCCCCCCC.
What is the InChIKey of 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine?
The InChIKey is DLPVHTZPMIJGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H56N2O2S4/c1-3-5-7-9-11-13-15-17-29-51-39-33-37-38(34-40(39)52-30-18-16-14-12-10-8-6-4-2)50-48-36(42-26-28-46(56-42)44-22-20-32-54-44)24-23-35(47(48)49-37)41-25-27-45(55-41)43-21-19-31-53-43/h19-28,31-34H,3-18,29-30H2,1-2H3.
What are the key properties of 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine?
7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine has a molecular weight of 821.26 g/mol, XLogP of 16.74, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine is sourced from PubChem (CID 102340610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).