9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium

C34H51Y- — CID 58594781

IUPAC9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2c[c-]ccc2-c2ccc(C)cc21.[Y]
InChIInChI=1S/C34H51.Y/c1-4-6-8-10-12-14-16-20-26-34(27-21-17-15-13-11-9-7-5-2)32-23-19-18-22-30(32)31-25-24-29(3)28-33(31)34;/h18,22-25,28H,4-17,20-21,26-27H2,1-3H3;/q-1;
InChIKeyZBOFGIWMUIRTGQ-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.12
Rot. Bonds18

About 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium

9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium (PubChem CID 58594781) has the molecular formula C34H51Y- and a molecular weight of 548.69 g/mol. Its IUPAC name is 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium.

Molecular Properties

Compound Name9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
PubChem CID58594781
Molecular FormulaC34H51Y-
Molecular Weight548.69 g/mol
Exact Mass548.31
IUPAC Name9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2c[c-]ccc2-c2ccc(C)cc21.[Y]
InChIInChI=1S/C34H51.Y/c1-4-6-8-10-12-14-16-20-26-34(27-21-17-15-13-11-9-7-5-2)32-23-19-18-22-30(32)31-25-24-29(3)28-33(31)34;/h18,22-25,28H,4-17,20-21,26-27H2,1-3H3;/q-1;
InChIKeyZBOFGIWMUIRTGQ-UHFFFAOYSA-N
XLogP11.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

dilithium;9,9-diheptyl-2,7-dihydrofluorene-2,7-diide
CID 59600006
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
tributyl-(7-methyl-9,9-dioctylfluoren-2-yl)stannane
CID 158683961
CID 173488082
CID 173488082
2-methyl-7-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 148971086
2-decoxy-1,4-dimethylbenzene;9,9-didodecyl-2,7-dimethylfluorene
CID 123681817
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350
N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
CID 58151400
9-hexyl-2,7,9-trimethylfluorene
CID 123978298

Frequently Asked Questions

What is the IUPAC name of 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium?
The IUPAC name of 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium (CID 58594781) is 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium.
What is the SMILES notation for 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium?
The canonical SMILES for 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium is CCCCCCCCCCC1(CCCCCCCCCC)c2c[c-]ccc2-c2ccc(C)cc21.[Y].
What is the InChIKey of 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium?
The InChIKey is ZBOFGIWMUIRTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51.Y/c1-4-6-8-10-12-14-16-20-26-34(27-21-17-15-13-11-9-7-5-2)32-23-19-18-22-30(32)31-25-24-29(3)28-33(31)34;/h18,22-25,28H,4-17,20-21,26-27H2,1-3H3;/q-1;.
What are the key properties of 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium?
9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium has a molecular weight of 548.69 g/mol, XLogP of 11.12, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-didecyl-7-methyl-2H-fluoren-2-ide;yttrium is sourced from PubChem (CID 58594781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).