(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum

C92H74NO4Pt- — CID 59027667

IUPAC(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(OCC(=O)/C=C(\O)COc6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6)cc5)ccc3-4)cc21.[Pt].[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C77H64O4.C15H10N.Pt/c1-74(2)66-15-11-9-13-58(66)60-33-23-50(39-68(60)74)52-25-35-64-62-31-21-48(37-70(62)76(5,6)72(64)41-52)46-17-27-56(28-18-46)80-44-54(78)43-55(79)45-81-57-29-19-47(20-30-57)49-22-32-63-65-36-26-53(42-73(65)77(7,8)71(63)38-49)51-24-34-61-59-14-10-12-16-67(59)75(3,4)69(61)40-51;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h9-43,78H,44-45H2,1-8H3;1-7,9-11H;/q;-1;/b54-43-;;
InChIKeyDITOIRMJHZZCFK-XRUHTRKUSA-N
MW1452.68 g/mol
LogP22.75
Rot. Bonds12

About (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum

(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum (PubChem CID 59027667) has the molecular formula C92H74NO4Pt- and a molecular weight of 1452.68 g/mol. Its IUPAC name is (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum.

Molecular Properties

Compound Name(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum
PubChem CID59027667
Molecular FormulaC92H74NO4Pt-
Molecular Weight1452.68 g/mol
Exact Mass1451.53
IUPAC Name(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(OCC(=O)/C=C(\O)COc6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6)cc5)ccc3-4)cc21.[Pt].[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C77H64O4.C15H10N.Pt/c1-74(2)66-15-11-9-13-58(66)60-33-23-50(39-68(60)74)52-25-35-64-62-31-21-48(37-70(62)76(5,6)72(64)41-52)46-17-27-56(28-18-46)80-44-54(78)43-55(79)45-81-57-29-19-47(20-30-57)49-22-32-63-65-36-26-53(42-73(65)77(7,8)71(63)38-49)51-24-34-61-59-14-10-12-16-67(59)75(3,4)69(61)40-51;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h9-43,78H,44-45H2,1-8H3;1-7,9-11H;/q;-1;/b54-43-;;
InChIKeyDITOIRMJHZZCFK-XRUHTRKUSA-N
XLogP22.75
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001452.68
LogP ≤ 522.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum with MolForge

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Related Compounds

(E)-5-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-1-hydroxypent-3-en-2-one;iridium(3+);2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;[(Z)-3-phenyl-1-[4-phenyl-3-(1,1,1-trifluoropropan-2-yl)benzene-6-id-1-yl]prop-2-enylidene]azanide;hydrate
CID 59027626
1-[4-[3-[16,19,19,22,22,25,25,28-Octamethyl-16,28-bis(trifluoromethyl)-13-undecacyclo[21.18.0.02,21.05,20.06,18.09,17.010,15.024,39.026,38.027,35.029,34]hentetraconta-1(23),2(21),3,5(20),6(18),7,9(17),10(15),11,13,24(39),26(38),27(35),29,31,33,36,40-octadecaenyl]-5-[16,19,22,25,28-pentamethyl-16,19,22,25,28-pentakis(trifluoromethyl)-13-undecacyclo[21.18.0.02,21.05,20.06,18.09,17.010,15.024,39.026,38.027,35.029,34]hentetraconta-1(23),2(21),3,5(20),6(18),7,9(17),10(15),11,13,24(39),26(38),27(35),29,31,33,36,40-octadecaenyl]phenoxy]phenyl]isoquinoline
CID 59512910
1-[4-[3,5-Bis[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]phenoxy]benzene-6-id-1-yl]isoquinoline;iridium
CID 59512965
CID 89018954
CID 89018954
5,6-bis(ethenyl)-2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]-2H-pyridin-1-ide;5-but-3-enyl-2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;(Z)-1,4-dihydroxy-5-(4-phenylphenoxy)pent-3-en-2-one;iridium(3+)
CID 135991543
anisole;benzene;1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;5,6-bis(ethenyl)-2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]-2H-pyridin-1-ide;5-but-3-enyl-2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]pyridine;1,4-dihydroxy-5-(4-phenylphenoxy)pent-3-en-2-one;[(3Z)-hexa-1,3,5-trien-2-yl]benzene;4-[(3Z)-hexa-1,3,5-trien-2-yl]phenol;4-hydroxy-1-(4-phenylcyclohexa-1,3-dien-1-yl)oxypent-3-en-2-one;4-hydroxy-5-(4-phenylphenoxy)pent-3-en-2-one;bis(iridium);iridium(3+);bis(1-phenylisoquinoline);1-phenyl-1H-isoquinolin-2-ide;tris(2-phenylpyridine);platinum;platinum(2+)
CID 159775791
11,11-dimethyl-1-(4-methyl-3H-naphthalen-3-id-2-yl)-9-(trifluoromethoxy)fluoreno[2,1-f]isoquinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 171734670
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;14,14,22,22-tetramethyl-6-(3-phenoxybenzene-6-id-1-yl)-17-(trifluoromethyl)-7-azahexacyclo[17.2.1.02,11.05,10.013,21.015,20]docosa-1,3,5(10),6,8,11,13(21),15(20),16,18-decaene
CID 171734673
1-[4-[3,5-Bis[9-methyl-7-[9-methyl-7-[9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]-9-(trifluoromethyl)fluoren-2-yl]phenoxy]phenyl]isoquinoline
CID 59512966
1-[3-[2',3'-Bis(penta-1,3-diynoxy)-6',7'-bis(penta-2,4-diynoxy)-9,9'-spirobi[fluorene]-3-yl]benzene-6-id-1-yl]isoquinoline;iridium
CID 58240104
Iridium;[4-[2-[4-[2-methyl-9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]phenyl]-pyrrol-1-id-2-ylmethanone;1-phenylisoquinoline
CID 58250833
[4-[2-[4-[2,7-Dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]phenyl]-pyrrol-1-id-2-ylmethanone;iridium;1-phenylisoquinoline
CID 58250839

Frequently Asked Questions

What is the IUPAC name of (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum?
The IUPAC name of (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum (CID 59027667) is (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum.
What is the SMILES notation for (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum?
The canonical SMILES for (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(OCC(=O)/C=C(\O)COc6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)cc6)cc5)ccc3-4)cc21.[Pt].[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum?
The InChIKey is DITOIRMJHZZCFK-XRUHTRKUSA-N. The full InChI is InChI=1S/C77H64O4.C15H10N.Pt/c1-74(2)66-15-11-9-13-58(66)60-33-23-50(39-68(60)74)52-25-35-64-62-31-21-48(37-70(62)76(5,6)72(64)41-52)46-17-27-56(28-18-46)80-44-54(78)43-55(79)45-81-57-29-19-47(20-30-57)49-22-32-63-65-36-26-53(42-73(65)77(7,8)71(63)38-49)51-24-34-61-59-14-10-12-16-67(59)75(3,4)69(61)40-51;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h9-43,78H,44-45H2,1-8H3;1-7,9-11H;/q;-1;/b54-43-;;.
What are the key properties of (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum?
(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum has a molecular weight of 1452.68 g/mol, XLogP of 22.75, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;1-phenylisoquinoline;platinum is sourced from PubChem (CID 59027667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).