8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride

C30H26Cl2SiZr — CID 173310572

IUPAC8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride
SMILESCC=C[Si](C)(C1=c2ccccc2=C2C=CC=CC21)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C30H26Si.2ClH.Zr/c1-3-20-31(2,29-25-16-8-4-12-21(25)22-13-5-9-17-26(22)29)30-27-18-10-6-14-23(27)24-15-7-11-19-28(24)30;;;/h3-20,25,30H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyWEBNDCACMQWGSN-UHFFFAOYSA-L
MW576.75 g/mol
LogP-0.17
Rot. Bonds3

About 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride

8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride (PubChem CID 173310572) has the molecular formula C30H26Cl2SiZr and a molecular weight of 576.75 g/mol. Its IUPAC name is 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride.

Molecular Properties

Compound Name8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride
PubChem CID173310572
Molecular FormulaC30H26Cl2SiZr
Molecular Weight576.75 g/mol
Exact Mass574.02
IUPAC Name8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride
SMILESCC=C[Si](C)(C1=c2ccccc2=C2C=CC=CC21)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C30H26Si.2ClH.Zr/c1-3-20-31(2,29-25-16-8-4-12-21(25)22-13-5-9-17-26(22)29)30-27-18-10-6-14-23(27)24-15-7-11-19-28(24)30;;;/h3-20,25,30H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyWEBNDCACMQWGSN-UHFFFAOYSA-L
XLogP-0.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.75
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride with MolForge

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Related Compounds

8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223274
8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223344
9-[1-(8aH-fluoren-9-yl)ethyl]-9H-fluorene;zirconium(2+);dichloride
CID 173217036
9-[3-(8aH-fluoren-9-yl)propyl]-9H-fluorene;zirconium(2+);dichloride
CID 173167014
9-[2-(8aH-fluoren-9-yl)-1,2-diphenylethyl]-9H-fluorene;zirconium(2+);dichloride
CID 173317651
9-[6-(8aH-fluoren-9-yl)decan-5-yl]-9H-fluorene;zirconium(2+);dichloride
CID 173317544
chloro-cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methylsilane
CID 154420413
9-propan-2-yl-4aH-fluorene
CID 59892983
9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene
CID 139240363
9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene
CID 139240365
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
(5S)-5-methyl-5H-cyclohepta[b]pyridine
CID 143833793

Frequently Asked Questions

What is the IUPAC name of 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride?
The IUPAC name of 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride (CID 173310572) is 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride.
What is the SMILES notation for 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride?
The canonical SMILES for 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride is CC=C[Si](C)(C1=c2ccccc2=C2C=CC=CC21)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride?
The InChIKey is WEBNDCACMQWGSN-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H26Si.2ClH.Zr/c1-3-20-31(2,29-25-16-8-4-12-21(25)22-13-5-9-17-26(22)29)30-27-18-10-6-14-23(27)24-15-7-11-19-28(24)30;;;/h3-20,25,30H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride?
8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride has a molecular weight of 576.75 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride is sourced from PubChem (CID 173310572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).