9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne)

C360H258N6O8S2 — CID 160839528

IUPAC9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne)
SMILESC#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5cnccc54)cc3)cc2)c2ccccc2-c2ccccc21)c1ccccc1.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5cnccc54)cc3)cc2)c2ccccc2-c2cnccc21)c1ccccc1.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5ncccc54)cc3)cc2)c2ccccc2-c2ccccc21)c1ccccc1.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5ncccc54)cc3)cc2)c2ccccc2-c2ncccc21)c1ccccc1.CCO.COC.O=C1c2ccccc2C(C#Cc2ccccc2)(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5C(=O)c5ccccc54)cc3)cc2)c2ccccc21.O=S1(=O)c2ccccc2C(C#Cc2ccccc2)(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5S(=O)(=O)c5ccccc54)cc3)cc2)c2ccccc21
InChIInChI=1S/C56H34O2.C54H34O4S2.2C53H33N.2C52H32N2.12C3H4.2C2H6O/c57-53-45-19-7-11-23-49(45)55(50-24-12-8-20-46(50)53,37-35-39-15-3-1-4-16-39)43-31-27-41(28-32-43)42-29-33-44(34-30-42)56(38-36-40-17-5-2-6-18-40)51-25-13-9-21-47(51)54(58)48-22-10-14-26-52(48)56;55-59(56)49-23-11-7-19-45(49)53(46-20-8-12-24-50(46)59,37-35-39-15-3-1-4-16-39)43-31-27-41(28-32-43)42-29-33-44(34-30-42)54(38-36-40-17-5-2-6-18-40)47-21-9-13-25-51(47)60(57,58)52-26-14-10-22-48(52)54;1-3-14-38(15-4-1)33-35-52(47-21-10-7-18-44(47)45-19-8-11-22-48(45)52)42-29-25-40(26-30-42)41-27-31-43(32-28-41)53(36-34-39-16-5-2-6-17-39)49-23-12-9-20-46(49)51-50(53)24-13-37-54-51;1-3-13-38(14-4-1)31-34-52(48-20-10-7-17-44(48)45-18-8-11-21-49(45)52)42-27-23-40(24-28-42)41-25-29-43(30-26-41)53(35-32-39-15-5-2-6-16-39)50-22-12-9-19-46(50)47-37-54-36-33-51(47)53;1-3-13-37(14-4-1)31-33-51(45-19-9-7-17-43(45)49-47(51)21-11-35-53-49)41-27-23-39(24-28-41)40-25-29-42(30-26-40)52(34-32-38-15-5-2-6-16-38)46-20-10-8-18-44(46)50-48(52)22-12-36-54-50;1-3-11-37(12-4-1)27-31-51(47-17-9-7-15-43(47)45-35-53-33-29-49(45)51)41-23-19-39(20-24-41)40-21-25-42(26-22-40)52(32-28-38-13-5-2-6-14-38)48-18-10-8-16-44(48)46-36-54-34-30-50(46)52;13*1-3-2;1-2-3/h1-34H;1-34H;1-32,37H;1-30,33,36-37H;1-30,35-36H;1-26,29-30,33-36H;12*1H,2H3;1-2H3;3H,2H2,1H3
InChIKeySHVNSPAVKUVBRE-UHFFFAOYSA-N
MW4860.19 g/mol
LogP74.28
Rot. Bonds18

About 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne)

9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne) (PubChem CID 160839528) has the molecular formula C360H258N6O8S2 and a molecular weight of 4860.19 g/mol. Its IUPAC name is 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne).

Molecular Properties

Compound Name9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne)
PubChem CID160839528
Molecular FormulaC360H258N6O8S2
Molecular Weight4860.19 g/mol
Exact Mass4855.94
IUPAC Name9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne)
SMILESC#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5cnccc54)cc3)cc2)c2ccccc2-c2ccccc21)c1ccccc1.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5cnccc54)cc3)cc2)c2ccccc2-c2cnccc21)c1ccccc1.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5ncccc54)cc3)cc2)c2ccccc2-c2ccccc21)c1ccccc1.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5ncccc54)cc3)cc2)c2ccccc2-c2ncccc21)c1ccccc1.CCO.COC.O=C1c2ccccc2C(C#Cc2ccccc2)(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5C(=O)c5ccccc54)cc3)cc2)c2ccccc21.O=S1(=O)c2ccccc2C(C#Cc2ccccc2)(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5S(=O)(=O)c5ccccc54)cc3)cc2)c2ccccc21
InChIInChI=1S/C56H34O2.C54H34O4S2.2C53H33N.2C52H32N2.12C3H4.2C2H6O/c57-53-45-19-7-11-23-49(45)55(50-24-12-8-20-46(50)53,37-35-39-15-3-1-4-16-39)43-31-27-41(28-32-43)42-29-33-44(34-30-42)56(38-36-40-17-5-2-6-18-40)51-25-13-9-21-47(51)54(58)48-22-10-14-26-52(48)56;55-59(56)49-23-11-7-19-45(49)53(46-20-8-12-24-50(46)59,37-35-39-15-3-1-4-16-39)43-31-27-41(28-32-43)42-29-33-44(34-30-42)54(38-36-40-17-5-2-6-18-40)47-21-9-13-25-51(47)60(57,58)52-26-14-10-22-48(52)54;1-3-14-38(15-4-1)33-35-52(47-21-10-7-18-44(47)45-19-8-11-22-48(45)52)42-29-25-40(26-30-42)41-27-31-43(32-28-41)53(36-34-39-16-5-2-6-17-39)49-23-12-9-20-46(49)51-50(53)24-13-37-54-51;1-3-13-38(14-4-1)31-34-52(48-20-10-7-17-44(48)45-18-8-11-21-49(45)52)42-27-23-40(24-28-42)41-25-29-43(30-26-41)53(35-32-39-15-5-2-6-16-39)50-22-12-9-19-46(50)47-37-54-36-33-51(47)53;1-3-13-37(14-4-1)31-33-51(45-19-9-7-17-43(45)49-47(51)21-11-35-53-49)41-27-23-39(24-28-41)40-25-29-42(30-26-40)52(34-32-38-15-5-2-6-16-38)46-20-10-8-18-44(46)50-48(52)22-12-36-54-50;1-3-11-37(12-4-1)27-31-51(47-17-9-7-15-43(47)45-35-53-33-29-49(45)51)41-23-19-39(20-24-41)40-21-25-42(26-22-40)52(32-28-38-13-5-2-6-14-38)48-18-10-8-16-44(48)46-36-54-34-30-50(46)52;13*1-3-2;1-2-3/h1-34H;1-34H;1-32,37H;1-30,33,36-37H;1-30,35-36H;1-26,29-30,33-36H;12*1H,2H3;1-2H3;3H,2H2,1H3
InChIKeySHVNSPAVKUVBRE-UHFFFAOYSA-N
XLogP74.28
TPSA209.22 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms376
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004860.19
LogP ≤ 574.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne) with MolForge

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Related Compounds

5-(2-phenylethynyl)-5-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]indeno[1,2-c]pyridine
CID 153468051
4-[9-(2-phenylethynyl)fluoren-9-yl]-N,N-bis[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]aniline
CID 146504426
9-(2-phenylethynyl)-9-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenoxy]phenyl]fluorene
CID 153299284
2-[4-[9-oxo-2-(2-phenylethynyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]phenyl]-2-(2-phenylethynyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 153299282
9-prop-1-ynyl-9-[4-[4-(9-prop-1-ynylfluoren-9-yl)phenyl]phenyl]fluorene
CID 153299320
[2-[6-[5-[9-methoxy-2-(2-phenylethynyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]-2-pyridinyl]-3-pyridinyl]-2-(2-phenylethynyl)-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 153299308
indeno[3,2-c]pyridine-5,5-diol
CID 101389053
5-(2-phenylphenyl)indeno[1,2-b]pyridin-5-ol
CID 59760565
9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 171727516
10,10-bis(pyridin-4-ylmethyl)anthracen-9-one
CID 656732
9-(3-methoxyprop-1-ynyl)-9-phenylfluorene
CID 153435964
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne)?
The IUPAC name of 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne) (CID 160839528) is 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne).
What is the SMILES notation for 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne)?
The canonical SMILES for 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne) is C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5cnccc54)cc3)cc2)c2ccccc2-c2ccccc21)c1ccccc1.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5cnccc54)cc3)cc2)c2ccccc2-c2cnccc21)c1ccccc1.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5ncccc54)cc3)cc2)c2ccccc2-c2ccccc21)c1ccccc1.C(#CC1(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5-c5ncccc54)cc3)cc2)c2ccccc2-c2ncccc21)c1ccccc1.CCO.COC.O=C1c2ccccc2C(C#Cc2ccccc2)(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5C(=O)c5ccccc54)cc3)cc2)c2ccccc21.O=S1(=O)c2ccccc2C(C#Cc2ccccc2)(c2ccc(-c3ccc(C4(C#Cc5ccccc5)c5ccccc5S(=O)(=O)c5ccccc54)cc3)cc2)c2ccccc21.
What is the InChIKey of 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne)?
The InChIKey is SHVNSPAVKUVBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34O2.C54H34O4S2.2C53H33N.2C52H32N2.12C3H4.2C2H6O/c57-53-45-19-7-11-23-49(45)55(50-24-12-8-20-46(50)53,37-35-39-15-3-1-4-16-39)43-31-27-41(28-32-43)42-29-33-44(34-30-42)56(38-36-40-17-5-2-6-18-40)51-25-13-9-21-47(51)54(58)48-22-10-14-26-52(48)56;55-59(56)49-23-11-7-19-45(49)53(46-20-8-12-24-50(46)59,37-35-39-15-3-1-4-16-39)43-31-27-41(28-32-43)42-29-33-44(34-30-42)54(38-36-40-17-5-2-6-18-40)47-21-9-13-25-51(47)60(57,58)52-26-14-10-22-48(52)54;1-3-14-38(15-4-1)33-35-52(47-21-10-7-18-44(47)45-19-8-11-22-48(45)52)42-29-25-40(26-30-42)41-27-31-43(32-28-41)53(36-34-39-16-5-2-6-17-39)49-23-12-9-20-46(49)51-50(53)24-13-37-54-51;1-3-13-38(14-4-1)31-34-52(48-20-10-7-17-44(48)45-18-8-11-21-49(45)52)42-27-23-40(24-28-42)41-25-29-43(30-26-41)53(35-32-39-15-5-2-6-16-39)50-22-12-9-19-46(50)47-37-54-36-33-51(47)53;1-3-13-37(14-4-1)31-33-51(45-19-9-7-17-43(45)49-47(51)21-11-35-53-49)41-27-23-39(24-28-41)40-25-29-42(30-26-40)52(34-32-38-15-5-2-6-16-38)46-20-10-8-18-44(46)50-48(52)22-12-36-54-50;1-3-11-37(12-4-1)27-31-51(47-17-9-7-15-43(47)45-35-53-33-29-49(45)51)41-23-19-39(20-24-41)40-21-25-42(26-22-40)52(32-28-38-13-5-2-6-14-38)48-18-10-8-16-44(48)46-36-54-34-30-50(46)52;13*1-3-2;1-2-3/h1-34H;1-34H;1-32,37H;1-30,33,36-37H;1-30,35-36H;1-26,29-30,33-36H;12*1H,2H3;1-2H3;3H,2H2,1H3.
What are the key properties of 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne)?
9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne) has a molecular weight of 4860.19 g/mol, XLogP of 74.28, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[10,10-dioxo-9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]phenyl]-9-(2-phenylethynyl)thioxanthene 10,10-dioxide;ethanol;methoxymethane;10-[4-[4-[10-oxo-9-(2-phenylethynyl)anthracen-9-yl]phenyl]phenyl]-10-(2-phenylethynyl)anthracen-9-one;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]phenyl]indeno[1,2-c]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-b]pyridin-5-yl]phenyl]phenyl]indeno[1,2-b]pyridine;5-(2-phenylethynyl)-5-[4-[4-[5-(2-phenylethynyl)indeno[1,2-c]pyridin-5-yl]phenyl]phenyl]indeno[1,2-c]pyridine;dodecakis(prop-1-yne) is sourced from PubChem (CID 160839528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).