1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne)

C218H160O2S2 — CID 160976711

About 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne)

1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne) (PubChem CID 160976711) has the molecular formula C218H160O2S2 and a molecular weight of 2875.81 g/mol. Its IUPAC name is 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne).

Molecular Properties

• Compound Name: 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne)
• PubChem CID: 160976711
• Molecular Formula: C218H160O2S2
• Molecular Weight: 2875.81 g/mol
• Exact Mass: 2873.19
• IUPAC Name: 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne)
• SMILES: C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C(#CC(c1ccccc1)(c1ccccc1)c1ccc(C(C#Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccccc1.C(#CC1(c2ccc(C3(C#Cc4ccccc4)c4ccccc4Cc4ccccc43)cc2)c2ccccc2Cc2ccccc21)c1ccccc1.C(#CC1(c2ccc(C3(C#Cc4ccccc4)c4ccccc4Oc4ccccc43)cc2)c2ccccc2Oc2ccccc21)c1ccccc1.C(#CC1(c2ccc(C3(C#Cc4ccccc4)c4ccccc4Sc4ccccc43)cc2)c2ccccc2Sc2ccccc21)c1ccccc1
• InChI: InChI=1S/C50H34.C48H30O2.C48H30S2.C48H34.8C3H4/c1-3-15-37(16-4-1)31-33-49(45-23-11-7-19-39(45)35-40-20-8-12-24-46(40)49)43-27-29-44(30-28-43)50(34-32-38-17-5-2-6-18-38)47-25-13-9-21-41(47)36-42-22-10-14-26-48(42)50;2*1-3-15-35(16-4-1)31-33-47(39-19-7-11-23-43(39)49-44-24-12-8-20-40(44)47)37-27-29-38(30-28-37)48(34-32-36-17-5-2-6-18-36)41-21-9-13-25-45(41)50-46-26-14-10-22-42(46)48;1-7-19-39(20-8-1)35-37-47(41-23-11-3-12-24-41,42-25-13-4-14-26-42)45-31-33-46(34-32-45)48(43-27-15-5-16-28-43,44-29-17-6-18-30-44)38-36-40-21-9-2-10-22-40;8*1-3-2/h1-30H,35-36H2;2*1-30H;1-34H;8*1H,2H3
• InChIKey: SYYVIIXETTYELY-UHFFFAOYSA-N
• XLogP: 47.90
• TPSA: 18.46 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2875.81
LogP ≤ 5	47.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne)?

The IUPAC name of 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne) (CID 160976711) is 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne).

What is the SMILES notation for 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne)?

The canonical SMILES for 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne) is C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C#CC.C(#CC(c1ccccc1)(c1ccccc1)c1ccc(C(C#Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccccc1.C(#CC1(c2ccc(C3(C#Cc4ccccc4)c4ccccc4Cc4ccccc43)cc2)c2ccccc2Cc2ccccc21)c1ccccc1.C(#CC1(c2ccc(C3(C#Cc4ccccc4)c4ccccc4Oc4ccccc43)cc2)c2ccccc2Oc2ccccc21)c1ccccc1.C(#CC1(c2ccc(C3(C#Cc4ccccc4)c4ccccc4Sc4ccccc43)cc2)c2ccccc2Sc2ccccc21)c1ccccc1.

What is the InChIKey of 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne)?

The InChIKey is SYYVIIXETTYELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34.C48H30O2.C48H30S2.C48H34.8C3H4/c1-3-15-37(16-4-1)31-33-49(45-23-11-7-19-39(45)35-40-20-8-12-24-46(40)49)43-27-29-44(30-28-43)50(34-32-38-17-5-2-6-18-38)47-25-13-9-21-41(47)36-42-22-10-14-26-48(42)50;2*1-3-15-35(16-4-1)31-33-47(39-19-7-11-23-43(39)49-44-24-12-8-20-40(44)47)37-27-29-38(30-28-37)48(34-32-36-17-5-2-6-18-36)41-21-9-13-25-45(41)50-46-26-14-10-22-42(46)48;1-7-19-39(20-8-1)35-37-47(41-23-11-3-12-24-41,42-25-13-4-14-26-42)45-31-33-46(34-32-45)48(43-27-15-5-16-28-43,44-29-17-6-18-30-44)38-36-40-21-9-2-10-22-40;8*1-3-2/h1-30H,35-36H2;2*1-30H;1-34H;8*1H,2H3.

What are the key properties of 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne)?

1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne) has a molecular weight of 2875.81 g/mol, XLogP of 47.90, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis(1,1,3-triphenylprop-2-ynyl)benzene;10-(2-phenylethynyl)-10-[4-[9-(2-phenylethynyl)-10H-anthracen-9-yl]phenyl]-9H-anthracene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)thioxanthen-9-yl]phenyl]thioxanthene;9-(2-phenylethynyl)-9-[4-[9-(2-phenylethynyl)xanthen-9-yl]phenyl]xanthene;octakis(prop-1-yne) is sourced from PubChem (CID 160976711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).