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

C88H72NO4Pt- — CID 59027625

IUPAC(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;2-phenylpyridine;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-c1ccccn1
InChIInChI=1S/C77H64O4.C11H8N.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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h9-43,78H,44-45H2,1-8H3;1-6,8-9H;/q;-1;/b54-43-;;
InChIKeyFQABXRJFWHDNQB-XRUHTRKUSA-N
MW1402.62 g/mol
LogP21.59
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;2-phenylpyridine;platinum

(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;2-phenylpyridine;platinum (PubChem CID 59027625) has the molecular formula C88H72NO4Pt- and a molecular weight of 1402.62 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;2-phenylpyridine;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;2-phenylpyridine;platinum
PubChem CID59027625
Molecular FormulaC88H72NO4Pt-
Molecular Weight1402.62 g/mol
Exact Mass1401.51
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;2-phenylpyridine;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-c1ccccn1
InChIInChI=1S/C77H64O4.C11H8N.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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h9-43,78H,44-45H2,1-8H3;1-6,8-9H;/q;-1;/b54-43-;;
InChIKeyFQABXRJFWHDNQB-XRUHTRKUSA-N
XLogP21.59
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001402.62
LogP ≤ 521.59
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;2-phenylpyridine;platinum with MolForge

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Related Compounds

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
2-[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]pyridine;iridium
CID 58240141
2-[3-(2',3'-Dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;iridium
CID 58658182
(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium
CID 59027609
(E)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]pent-3-en-2-one;[(Z)-1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-phenylprop-2-enyl]azanide;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;iridium(3+);hydrate
CID 59027621
2-cyclohexa-1,3-dien-1-ylpyridine;[3-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;platinum
CID 59027630
[(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium;bis(1-phenylisoquinoline)
CID 59027633
(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;iridium;bis(1-phenylisoquinoline)
CID 59027637
[3-[7-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-yl]-5-[7-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl] (Z)-3-hydroxybut-2-enoate;1-phenylisoquinoline;platinum
CID 59027648
[3-[7-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-yl]-5-[(2Z)-2-[(Z)-5-(3,3-dimethylinden-1-yl)-2,3-dimethylidenepent-4-enylidene]-3,3-dimethyl-1-methylideneinden-5-yl]phenyl] (Z)-3-hydroxybut-2-enoate;iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline
CID 59027657
(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
6-[7-(4-Methoxyphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylindeno[2,1-b]pyridine
CID 59747140

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;2-phenylpyridine;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;2-phenylpyridine;platinum (CID 59027625) is (Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;2-phenylpyridine;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;2-phenylpyridine;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;2-phenylpyridine;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-c1ccccn1.
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;2-phenylpyridine;platinum?
The InChIKey is FQABXRJFWHDNQB-XRUHTRKUSA-N. The full InChI is InChI=1S/C77H64O4.C11H8N.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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h9-43,78H,44-45H2,1-8H3;1-6,8-9H;/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;2-phenylpyridine;platinum?
(Z)-1,5-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenoxy]-4-hydroxypent-3-en-2-one;2-phenylpyridine;platinum has a molecular weight of 1402.62 g/mol, XLogP of 21.59, 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;2-phenylpyridine;platinum is sourced from PubChem (CID 59027625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).