3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one

C270H162O9 — CID 158101422

IUPAC3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
SMILESO=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccccc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccc(C#Cc6ccccc6)cc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccccc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccccc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/3C90H54O3/c91-89-85(71-27-15-5-16-28-71)81(73-47-39-67(40-48-73)35-31-63-19-7-1-8-20-63)84(88(89)78-53-45-70(46-54-78)38-34-66-25-13-4-14-26-66)76-57-61-80(62-58-76)93-79-59-55-75(56-60-79)83-82(74-49-41-68(42-50-74)36-32-64-21-9-2-10-22-64)87(90(92)86(83)72-29-17-6-18-30-72)77-51-43-69(44-52-77)37-33-65-23-11-3-12-24-65;91-89-85(71-27-15-5-16-28-71)83(81(73-47-39-67(40-48-73)35-31-63-19-7-1-8-20-63)87(89)77-51-43-69(44-52-77)37-33-65-23-11-3-12-24-65)75-55-59-79(60-56-75)93-80-61-57-76(58-62-80)84-82(74-49-41-68(42-50-74)36-32-64-21-9-2-10-22-64)88(90(92)86(84)72-29-17-6-18-30-72)78-53-45-70(46-54-78)38-34-66-25-13-4-14-26-66;91-89-85(71-27-15-5-16-28-71)81(73-47-39-67(40-48-73)35-31-63-19-7-1-8-20-63)83(87(89)77-51-43-69(44-52-77)37-33-65-23-11-3-12-24-65)75-55-59-79(60-56-75)93-80-61-57-76(58-62-80)84-82(74-49-41-68(42-50-74)36-32-64-21-9-2-10-22-64)86(72-29-17-6-18-30-72)90(92)88(84)78-53-45-70(46-54-78)38-34-66-25-13-4-14-26-66/h3*1-30,39-62H
InChIKeyFPHNZROXPUOESU-UHFFFAOYSA-N
MW3550.26 g/mol
LogP57.86
Rot. Bonds30

About 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one

3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one (PubChem CID 158101422) has the molecular formula C270H162O9 and a molecular weight of 3550.26 g/mol. Its IUPAC name is 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
PubChem CID158101422
Molecular FormulaC270H162O9
Molecular Weight3550.26 g/mol
Exact Mass3547.22
IUPAC Name3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
SMILESO=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccccc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccc(C#Cc6ccccc6)cc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccccc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccccc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccc(C#Cc2ccccc2)cc1
InChIInChI=1S/3C90H54O3/c91-89-85(71-27-15-5-16-28-71)81(73-47-39-67(40-48-73)35-31-63-19-7-1-8-20-63)84(88(89)78-53-45-70(46-54-78)38-34-66-25-13-4-14-26-66)76-57-61-80(62-58-76)93-79-59-55-75(56-60-79)83-82(74-49-41-68(42-50-74)36-32-64-21-9-2-10-22-64)87(90(92)86(83)72-29-17-6-18-30-72)77-51-43-69(44-52-77)37-33-65-23-11-3-12-24-65;91-89-85(71-27-15-5-16-28-71)83(81(73-47-39-67(40-48-73)35-31-63-19-7-1-8-20-63)87(89)77-51-43-69(44-52-77)37-33-65-23-11-3-12-24-65)75-55-59-79(60-56-75)93-80-61-57-76(58-62-80)84-82(74-49-41-68(42-50-74)36-32-64-21-9-2-10-22-64)88(90(92)86(84)72-29-17-6-18-30-72)78-53-45-70(46-54-78)38-34-66-25-13-4-14-26-66;91-89-85(71-27-15-5-16-28-71)81(73-47-39-67(40-48-73)35-31-63-19-7-1-8-20-63)83(87(89)77-51-43-69(44-52-77)37-33-65-23-11-3-12-24-65)75-55-59-79(60-56-75)93-80-61-57-76(58-62-80)84-82(74-49-41-68(42-50-74)36-32-64-21-9-2-10-22-64)86(72-29-17-6-18-30-72)90(92)88(84)78-53-45-70(46-54-78)38-34-66-25-13-4-14-26-66/h3*1-30,39-62H
InChIKeyFPHNZROXPUOESU-UHFFFAOYSA-N
XLogP57.86
TPSA130.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms279
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003550.26
LogP ≤ 557.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one with MolForge

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Related Compounds

4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-2,5-diphenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;3-[4-[4-[3-oxo-5-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-4-phenyl-2-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
CID 161273289
4-[4-[4-[3-oxo-5-phenyl-2-[4-(2-phenylethynyl)phenyl]-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-3-phenyl-2-[4-(2-phenylethynyl)phenyl]-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one
CID 88904931
2-(4-ethenylphenyl)-4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-5-phenyl-3-[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
CID 143043893
3-[4-[4-[3-oxo-2,4-bis[4-(2-phenylethynyl)phenyl]-5-[4-[4-[2,4,5-tris[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,4,5-tris[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
CID 89374119
3-[4-[4-[3-oxo-5-[4-[4-[3-oxo-2,5-diphenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,4-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one
CID 89119547
4-[4-[4-[3-oxo-5-[4-[4-[3-oxo-4,5-diphenyl-2-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4-(4-phenylphenyl)cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-(4-phenylphenyl)cyclopenta-2,4-dien-1-one
CID 89382687
3-[4-[4-[3-oxo-2,4-diphenyl-5-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,5-diphenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;3-[4-[4-[3-oxo-2,5-diphenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,4-diphenyl-5-[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2,5-diphenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2,3-diphenyl-5-[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4,5,17,18-tetraphenyl-25,25-bis(2-phenylethynyl)-11-oxaheptacyclo[24.2.2.27,10.212,15.221,24.02,6.016,20]hexatriaconta-1(28),2(6),4,7(36),8,10(35),12(34),13,15(33),16(20),17,21,23,26,29,31-hexadecaene-3,19-dione
CID 158876656
3-[3-[3-oxo-2,4-diphenyl-5-[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]-5-(2-phenylethynyl)phenyl]-2,5-diphenyl-4-[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
CID 59731101
3-[3-[3-oxo-2,4-diphenyl-5-[3-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]-2,5-diphenyl-4-[3-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one
CID 71210162
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
3-(4-methylphenyl)-4-[4-[2-[4-[3-oxo-2,4-diphenyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]phenyl]ethynyl]phenyl]-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 123533466
1-(2-phenylethynyl)-3-[4-(2-phenylethynyl)phenoxy]benzene
CID 139902783

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one?
The IUPAC name of 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one (CID 158101422) is 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one.
What is the SMILES notation for 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one?
The canonical SMILES for 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one is O=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccccc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccc(C#Cc6ccccc6)cc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccccc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccccc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccc(C#Cc2ccccc2)cc1.
What is the InChIKey of 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one?
The InChIKey is FPHNZROXPUOESU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C90H54O3/c91-89-85(71-27-15-5-16-28-71)81(73-47-39-67(40-48-73)35-31-63-19-7-1-8-20-63)84(88(89)78-53-45-70(46-54-78)38-34-66-25-13-4-14-26-66)76-57-61-80(62-58-76)93-79-59-55-75(56-60-79)83-82(74-49-41-68(42-50-74)36-32-64-21-9-2-10-22-64)87(90(92)86(83)72-29-17-6-18-30-72)77-51-43-69(44-52-77)37-33-65-23-11-3-12-24-65;91-89-85(71-27-15-5-16-28-71)83(81(73-47-39-67(40-48-73)35-31-63-19-7-1-8-20-63)87(89)77-51-43-69(44-52-77)37-33-65-23-11-3-12-24-65)75-55-59-79(60-56-75)93-80-61-57-76(58-62-80)84-82(74-49-41-68(42-50-74)36-32-64-21-9-2-10-22-64)88(90(92)86(84)72-29-17-6-18-30-72)78-53-45-70(46-54-78)38-34-66-25-13-4-14-26-66;91-89-85(71-27-15-5-16-28-71)81(73-47-39-67(40-48-73)35-31-63-19-7-1-8-20-63)83(87(89)77-51-43-69(44-52-77)37-33-65-23-11-3-12-24-65)75-55-59-79(60-56-75)93-80-61-57-76(58-62-80)84-82(74-49-41-68(42-50-74)36-32-64-21-9-2-10-22-64)86(72-29-17-6-18-30-72)90(92)88(84)78-53-45-70(46-54-78)38-34-66-25-13-4-14-26-66/h3*1-30,39-62H.
What are the key properties of 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one?
3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one has a molecular weight of 3550.26 g/mol, XLogP of 57.86, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-2-phenyl-4,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one;4-[4-[4-[3-oxo-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-1,4-dien-1-yl]phenoxy]phenyl]-2-phenyl-3,5-bis[4-(2-phenylethynyl)phenyl]cyclopenta-2,4-dien-1-one is sourced from PubChem (CID 158101422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).