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

C297H184O12 — CID 158876656

IUPAC3-[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
SMILESO=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccccc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccccc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccccc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccc(C#Cc6ccccc6)cc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccccc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccccc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccccc2)=C(c2ccccc2)C2=C1c1ccc(cc1)C(C#Cc1ccccc1)(C#Cc1ccccc1)c1ccc(cc1)C1=C(C(c3ccccc3)=C(c3ccccc3)C1=O)c1ccc(cc1)Oc1ccc2cc1
InChIInChI=1S/C75H46O3.3C74H46O3/c76-73-69(55-27-15-5-16-28-55)65(53-23-11-3-12-24-53)67-57-35-43-63(44-36-57)78-64-45-37-58(38-46-64)68-66(54-25-13-4-14-26-54)70(56-29-17-6-18-30-56)74(77)72(68)60-33-41-62(42-34-60)75(49-47-51-19-7-1-8-20-51,50-48-52-21-9-2-10-22-52)61-39-31-59(32-40-61)71(67)73;75-73-69(57-27-15-5-16-28-57)65(55-23-11-3-12-24-55)68(72(73)62-41-37-54(38-42-62)34-32-52-21-9-2-10-22-52)60-45-49-64(50-46-60)77-63-47-43-59(44-48-63)67-66(56-25-13-4-14-26-56)71(74(76)70(67)58-29-17-6-18-30-58)61-39-35-53(36-40-61)33-31-51-19-7-1-8-20-51;75-73-69(57-27-15-5-16-28-57)67(65(55-23-11-3-12-24-55)71(73)61-39-35-53(36-40-61)33-31-51-19-7-1-8-20-51)59-43-47-63(48-44-59)77-64-49-45-60(46-50-64)68-66(56-25-13-4-14-26-56)72(74(76)70(68)58-29-17-6-18-30-58)62-41-37-54(38-42-62)34-32-52-21-9-2-10-22-52;75-73-69(55-23-11-3-12-24-55)65(59-39-35-53(36-40-59)33-31-51-19-7-1-8-20-51)67(71(73)57-27-15-5-16-28-57)61-43-47-63(48-44-61)77-64-49-45-62(46-50-64)68-66(60-41-37-54(38-42-60)34-32-52-21-9-2-10-22-52)70(56-25-13-4-14-26-56)74(76)72(68)58-29-17-6-18-30-58/h1-46H;3*1-30,35-50H
InChIKeyJCNCUKHHHIRMMN-UHFFFAOYSA-N
MW3944.73 g/mol
LogP65.85
Rot. Bonds34

About 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

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 (PubChem CID 158876656) has the molecular formula C297H184O12 and a molecular weight of 3944.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158876656
Molecular FormulaC297H184O12
Molecular Weight3944.73 g/mol
Exact Mass3941.38
IUPAC Name3-[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
SMILESO=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccccc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccccc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccccc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccc(C#Cc6ccccc6)cc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccccc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccccc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccccc2)=C(c2ccccc2)C2=C1c1ccc(cc1)C(C#Cc1ccccc1)(C#Cc1ccccc1)c1ccc(cc1)C1=C(C(c3ccccc3)=C(c3ccccc3)C1=O)c1ccc(cc1)Oc1ccc2cc1
InChIInChI=1S/C75H46O3.3C74H46O3/c76-73-69(55-27-15-5-16-28-55)65(53-23-11-3-12-24-53)67-57-35-43-63(44-36-57)78-64-45-37-58(38-46-64)68-66(54-25-13-4-14-26-54)70(56-29-17-6-18-30-56)74(77)72(68)60-33-41-62(42-34-60)75(49-47-51-19-7-1-8-20-51,50-48-52-21-9-2-10-22-52)61-39-31-59(32-40-61)71(67)73;75-73-69(57-27-15-5-16-28-57)65(55-23-11-3-12-24-55)68(72(73)62-41-37-54(38-42-62)34-32-52-21-9-2-10-22-52)60-45-49-64(50-46-60)77-63-47-43-59(44-48-63)67-66(56-25-13-4-14-26-56)71(74(76)70(67)58-29-17-6-18-30-58)61-39-35-53(36-40-61)33-31-51-19-7-1-8-20-51;75-73-69(57-27-15-5-16-28-57)67(65(55-23-11-3-12-24-55)71(73)61-39-35-53(36-40-61)33-31-51-19-7-1-8-20-51)59-43-47-63(48-44-59)77-64-49-45-60(46-50-64)68-66(56-25-13-4-14-26-56)72(74(76)70(68)58-29-17-6-18-30-58)62-41-37-54(38-42-62)34-32-52-21-9-2-10-22-52;75-73-69(55-23-11-3-12-24-55)65(59-39-35-53(36-40-59)33-31-51-19-7-1-8-20-51)67(71(73)57-27-15-5-16-28-57)61-43-47-63(48-44-61)77-64-49-45-62(46-50-64)68-66(60-41-37-54(38-42-60)34-32-52-21-9-2-10-22-52)70(56-25-13-4-14-26-56)74(76)72(68)58-29-17-6-18-30-58/h1-46H;3*1-30,35-50H
InChIKeyJCNCUKHHHIRMMN-UHFFFAOYSA-N
XLogP65.85
TPSA173.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms309
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003944.73
LogP ≤ 565.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccccc2)C(c2ccc(Oc3ccc(C4=C(c5ccc(C#Cc6ccccc6)cc5)C(=O)C(c5ccccc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccc(C#Cc3ccccc3)cc2)=C(c2ccccc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccc(C#Cc6ccccc6)cc5)=C4c4ccccc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccccc2)=C(c2ccc(C#Cc3ccccc3)cc2)C(c2ccc(Oc3ccc(C4=C(c5ccccc5)C(=O)C(c5ccccc5)=C4c4ccc(C#Cc5ccccc5)cc4)cc3)cc2)=C1c1ccccc1.O=C1C(c2ccccc2)=C(c2ccccc2)C2=C1c1ccc(cc1)C(C#Cc1ccccc1)(C#Cc1ccccc1)c1ccc(cc1)C1=C(C(c3ccccc3)=C(c3ccccc3)C1=O)c1ccc(cc1)Oc1ccc2cc1.
What is the InChIKey of 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?
The InChIKey is JCNCUKHHHIRMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46O3.3C74H46O3/c76-73-69(55-27-15-5-16-28-55)65(53-23-11-3-12-24-53)67-57-35-43-63(44-36-57)78-64-45-37-58(38-46-64)68-66(54-25-13-4-14-26-54)70(56-29-17-6-18-30-56)74(77)72(68)60-33-41-62(42-34-60)75(49-47-51-19-7-1-8-20-51,50-48-52-21-9-2-10-22-52)61-39-31-59(32-40-61)71(67)73;75-73-69(57-27-15-5-16-28-57)65(55-23-11-3-12-24-55)68(72(73)62-41-37-54(38-42-62)34-32-52-21-9-2-10-22-52)60-45-49-64(50-46-60)77-63-47-43-59(44-48-63)67-66(56-25-13-4-14-26-56)71(74(76)70(67)58-29-17-6-18-30-58)61-39-35-53(36-40-61)33-31-51-19-7-1-8-20-51;75-73-69(57-27-15-5-16-28-57)67(65(55-23-11-3-12-24-55)71(73)61-39-35-53(36-40-61)33-31-51-19-7-1-8-20-51)59-43-47-63(48-44-59)77-64-49-45-60(46-50-64)68-66(56-25-13-4-14-26-56)72(74(76)70(68)58-29-17-6-18-30-58)62-41-37-54(38-42-62)34-32-52-21-9-2-10-22-52;75-73-69(55-23-11-3-12-24-55)65(59-39-35-53(36-40-59)33-31-51-19-7-1-8-20-51)67(71(73)57-27-15-5-16-28-57)61-43-47-63(48-44-61)77-64-49-45-62(46-50-64)68-66(60-41-37-54(38-42-60)34-32-52-21-9-2-10-22-52)70(56-25-13-4-14-26-56)74(76)72(68)58-29-17-6-18-30-58/h1-46H;3*1-30,35-50H.
What are the key properties of 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?
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 has a molecular weight of 3944.73 g/mol, XLogP of 65.85, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158876656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).