N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine

C74H82N6O8S3 — CID 174022561

IUPACN-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine
SMILES[H]/N=c1/c(-c2cc(CCCCCC)c(-c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)s2)c2[nH]c(-c3ccco3)c(-c3ccco3)[nH]c-2c(-c2cc(CCCCCC)c(-c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)s2)c1=NS
InChIInChI=1S/C74H82N6O8S3/c1-5-7-9-11-19-49-47-63(90-73(49)51-27-29-59-55(45-51)53-21-13-15-23-57(53)79(59)31-35-83-41-43-85-39-37-81-3)65-67(75)70(78-89)66(72-71(65)76-68(61-25-17-33-87-61)69(77-72)62-26-18-34-88-62)64-48-50(20-12-10-8-6-2)74(91-64)52-28-30-60-56(46-52)54-22-14-16-24-58(54)80(60)32-36-84-42-44-86-40-38-82-4/h13-18,21-30,33-34,45-48,75-77,89H,5-12,19-20,31-32,35-44H2,1-4H3/b75-67-,78-70?
InChIKeyFHLALRLGGKZFKJ-JYVWHXAMSA-N
MW1279.70 g/mol
LogP17.80
Rot. Bonds34

About N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine

N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine (PubChem CID 174022561) has the molecular formula C74H82N6O8S3 and a molecular weight of 1279.70 g/mol. Its IUPAC name is N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine.

Molecular Properties

Compound NameN-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine
PubChem CID174022561
Molecular FormulaC74H82N6O8S3
Molecular Weight1279.70 g/mol
Exact Mass1278.54
IUPAC NameN-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine
SMILES[H]/N=c1/c(-c2cc(CCCCCC)c(-c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)s2)c2[nH]c(-c3ccco3)c(-c3ccco3)[nH]c-2c(-c2cc(CCCCCC)c(-c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)s2)c1=NS
InChIInChI=1S/C74H82N6O8S3/c1-5-7-9-11-19-49-47-63(90-73(49)51-27-29-59-55(45-51)53-21-13-15-23-57(53)79(59)31-35-83-41-43-85-39-37-81-3)65-67(75)70(78-89)66(72-71(65)76-68(61-25-17-33-87-61)69(77-72)62-26-18-34-88-62)64-48-50(20-12-10-8-6-2)74(91-64)52-28-30-60-56(46-52)54-22-14-16-24-58(54)80(60)32-36-84-42-44-86-40-38-82-4/h13-18,21-30,33-34,45-48,75-77,89H,5-12,19-20,31-32,35-44H2,1-4H3/b75-67-,78-70?
InChIKeyFHLALRLGGKZFKJ-JYVWHXAMSA-N
XLogP17.80
TPSA159.31 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001279.70
LogP ≤ 517.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine?
The IUPAC name of N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine (CID 174022561) is N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine.
What is the SMILES notation for N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine?
The canonical SMILES for N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine is [H]/N=c1/c(-c2cc(CCCCCC)c(-c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)s2)c2[nH]c(-c3ccco3)c(-c3ccco3)[nH]c-2c(-c2cc(CCCCCC)c(-c3ccc4c(c3)c3ccccc3n4CCOCCOCCOC)s2)c1=NS.
What is the InChIKey of N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine?
The InChIKey is FHLALRLGGKZFKJ-JYVWHXAMSA-N. The full InChI is InChI=1S/C74H82N6O8S3/c1-5-7-9-11-19-49-47-63(90-73(49)51-27-29-59-55(45-51)53-21-13-15-23-57(53)79(59)31-35-83-41-43-85-39-37-81-3)65-67(75)70(78-89)66(72-71(65)76-68(61-25-17-33-87-61)69(77-72)62-26-18-34-88-62)64-48-50(20-12-10-8-6-2)74(91-64)52-28-30-60-56(46-52)54-22-14-16-24-58(54)80(60)32-36-84-42-44-86-40-38-82-4/h13-18,21-30,33-34,45-48,75-77,89H,5-12,19-20,31-32,35-44H2,1-4H3/b75-67-,78-70?.
What are the key properties of N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine?
N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine has a molecular weight of 1279.70 g/mol, XLogP of 17.80, 34 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(furan-2-yl)-5,8-bis[4-hexyl-5-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]thiophen-2-yl]-7-imino-1,4-dihydroquinoxalin-6-ylidene]thiohydroxylamine is sourced from PubChem (CID 174022561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).