[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

C85H72NO3Pt- — CID 59027648

IUPAC[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
SMILESC/C(O)=C/C(=O)Oc1cc(-c2ccc3c(c2)C(C)(C)c2cc(C4=CC5=C(CC4)c4ccccc4C5(C)C)ccc2-3)cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)C4CC=CC=C54)ccc2-3)c1.[Pt].[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C70H62O3.C15H10N.Pt/c1-40(71)30-66(72)73-49-32-47(45-22-28-56-54-26-20-43(36-62(54)69(6,7)64(56)38-45)41-18-24-52-50-14-10-12-16-58(50)67(2,3)60(52)34-41)31-48(33-49)46-23-29-57-55-27-21-44(37-63(55)70(8,9)65(57)39-46)42-19-25-53-51-15-11-13-17-59(51)68(4,5)61(53)35-42;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h10-16,19-23,25-39,59,71H,17-18,24H2,1-9H3;1-7,9-11H;/q;-1;/b40-30-;;
InChIKeyDRZWLVMQUOFOBR-GCNZEGCCSA-N
MW1350.59 g/mol
LogP21.54
Rot. Bonds7

About [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

[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 (PubChem CID 59027648) has the molecular formula C85H72NO3Pt- and a molecular weight of 1350.59 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID59027648
Molecular FormulaC85H72NO3Pt-
Molecular Weight1350.59 g/mol
Exact Mass1349.52
IUPAC Name[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
SMILESC/C(O)=C/C(=O)Oc1cc(-c2ccc3c(c2)C(C)(C)c2cc(C4=CC5=C(CC4)c4ccccc4C5(C)C)ccc2-3)cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)C4CC=CC=C54)ccc2-3)c1.[Pt].[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C70H62O3.C15H10N.Pt/c1-40(71)30-66(72)73-49-32-47(45-22-28-56-54-26-20-43(36-62(54)69(6,7)64(56)38-45)41-18-24-52-50-14-10-12-16-58(50)67(2,3)60(52)34-41)31-48(33-49)46-23-29-57-55-27-21-44(37-63(55)70(8,9)65(57)39-46)42-19-25-53-51-15-11-13-17-59(51)68(4,5)61(53)35-42;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h10-16,19-23,25-39,59,71H,17-18,24H2,1-9H3;1-7,9-11H;/q;-1;/b40-30-;;
InChIKeyDRZWLVMQUOFOBR-GCNZEGCCSA-N
XLogP21.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001350.59
LogP ≤ 521.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Related Compounds

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
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
14,14,22,22-Tetramethyl-6-(3-phenoxyphenyl)-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 171734674
[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]naphthalen-1-yl] 2,2,2-trifluoroacetate;[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;iridium
CID 172181979
[4-[4-(3,5-Dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]naphthalen-1-yl] 2,2,2-trifluoroacetate;iridium
CID 172181992
[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]phenyl] 2,2,2-trifluoroacetate;[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;iridium
CID 172182001
[(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-ylidene]oxidanium;[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]phenyl] 2,2,2-trifluoroacetate;iridium
CID 172182080
[(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-ylidene]oxidanium;[4-[4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinolin-8-yl]naphthalen-1-yl] 2,2,2-trifluoroacetate;iridium
CID 172182096
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C/C(O)=C/C(=O)Oc1cc(-c2ccc3c(c2)C(C)(C)c2cc(C4=CC5=C(CC4)c4ccccc4C5(C)C)ccc2-3)cc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)C4CC=CC=C54)ccc2-3)c1.[Pt].[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of [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?
The InChIKey is DRZWLVMQUOFOBR-GCNZEGCCSA-N. The full InChI is InChI=1S/C70H62O3.C15H10N.Pt/c1-40(71)30-66(72)73-49-32-47(45-22-28-56-54-26-20-43(36-62(54)69(6,7)64(56)38-45)41-18-24-52-50-14-10-12-16-58(50)67(2,3)60(52)34-41)31-48(33-49)46-23-29-57-55-27-21-44(37-63(55)70(8,9)65(57)39-46)42-19-25-53-51-15-11-13-17-59(51)68(4,5)61(53)35-42;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h10-16,19-23,25-39,59,71H,17-18,24H2,1-9H3;1-7,9-11H;/q;-1;/b40-30-;;.
What are the key properties of [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?
[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 has a molecular weight of 1350.59 g/mol, XLogP of 21.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 59027648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).