5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide

C64H44N2O7S2 — CID 153299333

IUPAC5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7S(=O)(=O)c7cnccc76)cc5)cc4)c4ccccc4S(=O)(=O)c4cnccc43)ccc2c1
InChIInChI=1S/C64H44N2O7S2/c1-3-5-35-71-53-25-17-43-37-49(19-15-45(43)39-53)63(55-11-7-9-13-59(55)74(67,68)61-41-65-33-31-57(61)63)47-21-27-51(28-22-47)73-52-29-23-48(24-30-52)64(50-20-16-46-40-54(72-36-6-4-2)26-18-44(46)38-50)56-12-8-10-14-60(56)75(69,70)62-42-66-34-32-58(62)64/h7-34,37-42H,35-36H2,1-2H3
InChIKeyUKZNGUFXHBXVTL-UHFFFAOYSA-N
MW1017.20 g/mol
LogP12.44
Rot. Bonds10

About 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide

5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide (PubChem CID 153299333) has the molecular formula C64H44N2O7S2 and a molecular weight of 1017.20 g/mol. Its IUPAC name is 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide.

Molecular Properties

Compound Name5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide
PubChem CID153299333
Molecular FormulaC64H44N2O7S2
Molecular Weight1017.20 g/mol
Exact Mass1016.26
IUPAC Name5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide
SMILESCC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7S(=O)(=O)c7cnccc76)cc5)cc4)c4ccccc4S(=O)(=O)c4cnccc43)ccc2c1
InChIInChI=1S/C64H44N2O7S2/c1-3-5-35-71-53-25-17-43-37-49(19-15-45(43)39-53)63(55-11-7-9-13-59(55)74(67,68)61-41-65-33-31-57(61)63)47-21-27-51(28-22-47)73-52-29-23-48(24-30-52)64(50-20-16-46-40-54(72-36-6-4-2)26-18-44(46)38-50)56-12-8-10-14-60(56)75(69,70)62-42-66-34-32-58(62)64/h7-34,37-42H,35-36H2,1-2H3
InChIKeyUKZNGUFXHBXVTL-UHFFFAOYSA-N
XLogP12.44
TPSA121.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.20
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide?
The IUPAC name of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide (CID 153299333) is 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide.
What is the SMILES notation for 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide?
The canonical SMILES for 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide is CC#CCOc1ccc2cc(C3(c4ccc(Oc5ccc(C6(c7ccc8cc(OCC#CC)ccc8c7)c7ccccc7S(=O)(=O)c7cnccc76)cc5)cc4)c4ccccc4S(=O)(=O)c4cnccc43)ccc2c1.
What is the InChIKey of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide?
The InChIKey is UKZNGUFXHBXVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O7S2/c1-3-5-35-71-53-25-17-43-37-49(19-15-45(43)39-53)63(55-11-7-9-13-59(55)74(67,68)61-41-65-33-31-57(61)63)47-21-27-51(28-22-47)73-52-29-23-48(24-30-52)64(50-20-16-46-40-54(72-36-6-4-2)26-18-44(46)38-50)56-12-8-10-14-60(56)75(69,70)62-42-66-34-32-58(62)64/h7-34,37-42H,35-36H2,1-2H3.
What are the key properties of 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide?
5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide has a molecular weight of 1017.20 g/mol, XLogP of 12.44, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-but-2-ynoxynaphthalen-2-yl)-5-[4-[4-[5-(6-but-2-ynoxynaphthalen-2-yl)-10,10-dioxothiochromeno[2,3-c]pyridin-5-yl]phenoxy]phenyl]thiochromeno[2,3-c]pyridine 10,10-dioxide is sourced from PubChem (CID 153299333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).