1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+)

C36H34Zr — CID 154374672

IUPAC1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+)
SMILESCc1[c-]c(C)c2c(c1)-c1ccccc1C2.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4]
InChIInChI=1S/C15H13.3C7H7.Zr/c1-10-7-11(2)14-9-12-5-3-4-6-13(12)15(14)8-10;3*1-7-5-3-2-4-6-7;/h3-6,8H,9H2,1-2H3;3*2-6H,1H2;/q4*-1;+4
InChIKeyNKHIWSYGDHGLFQ-UHFFFAOYSA-N
MW557.89 g/mol
LogP9.28
Rot. Bonds

About 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+)

1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+) (PubChem CID 154374672) has the molecular formula C36H34Zr and a molecular weight of 557.89 g/mol. Its IUPAC name is 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+).

Molecular Properties

Compound Name1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+)
PubChem CID154374672
Molecular FormulaC36H34Zr
Molecular Weight557.89 g/mol
Exact Mass556.17
IUPAC Name1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+)
SMILESCc1[c-]c(C)c2c(c1)-c1ccccc1C2.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4]
InChIInChI=1S/C15H13.3C7H7.Zr/c1-10-7-11(2)14-9-12-5-3-4-6-13(12)15(14)8-10;3*1-7-5-3-2-4-6-7;/h3-6,8H,9H2,1-2H3;3*2-6H,1H2;/q4*-1;+4
InChIKeyNKHIWSYGDHGLFQ-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.89
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-(9H-fluoren-1-yl)-9H-fluorene
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1,3-ditert-butyl-9H-fluorene
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CID 87704393
1,3-dimethyl-11,12-dihydroindeno[2,1-a]fluorene
CID 59147149
1,3-dimethyl-N-phenyl-9H-fluoren-2-amine
CID 174831401
1,2,3-tributyl-9H-fluorene
CID 90984374
1-[2-[1,1,1,3,3,3-hexafluoro-2-[2-(3-methyl-9H-fluoren-1-yl)phenyl]propan-2-yl]phenyl]-3-methyl-9H-fluorene
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4-chloro-2-methyl-5H-indeno[1,2-b]pyridine
CID 10512877
1,2-dioctyl-3-phenyl-9H-fluorene
CID 140695586

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+)?
The IUPAC name of 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+) (CID 154374672) is 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+).
What is the SMILES notation for 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+)?
The canonical SMILES for 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+) is Cc1[c-]c(C)c2c(c1)-c1ccccc1C2.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4].
What is the InChIKey of 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+)?
The InChIKey is NKHIWSYGDHGLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13.3C7H7.Zr/c1-10-7-11(2)14-9-12-5-3-4-6-13(12)15(14)8-10;3*1-7-5-3-2-4-6-7;/h3-6,8H,9H2,1-2H3;3*2-6H,1H2;/q4*-1;+4.
What are the key properties of 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+)?
1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+) has a molecular weight of 557.89 g/mol, XLogP of 9.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,9-dihydrofluoren-2-ide;methanidylbenzene;zirconium(4+) is sourced from PubChem (CID 154374672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).