1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium

C25H22Zr — CID 173264324

IUPAC1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium
SMILESCCC(C1=Cc2ccccc2C1)c1cccc2c1Cc1ccccc1-2.[Zr]
InChIInChI=1S/C25H22.Zr/c1-2-21(20-14-17-8-3-4-9-18(17)15-20)23-12-7-13-24-22-11-6-5-10-19(22)16-25(23)24;/h3-14,21H,2,15-16H2,1H3;
InChIKeyCUCARZGBHRRVOT-UHFFFAOYSA-N
MW413.68 g/mol
LogP6.39
Rot. Bonds3

About 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium

1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium (PubChem CID 173264324) has the molecular formula C25H22Zr and a molecular weight of 413.68 g/mol. Its IUPAC name is 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium.

Molecular Properties

Compound Name1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium
PubChem CID173264324
Molecular FormulaC25H22Zr
Molecular Weight413.68 g/mol
Exact Mass412.08
IUPAC Name1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium
SMILESCCC(C1=Cc2ccccc2C1)c1cccc2c1Cc1ccccc1-2.[Zr]
InChIInChI=1S/C25H22.Zr/c1-2-21(20-14-17-8-3-4-9-18(17)15-20)23-12-7-13-24-22-11-6-5-10-19(22)16-25(23)24;/h3-14,21H,2,15-16H2,1H3;
InChIKeyCUCARZGBHRRVOT-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.68
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(9H-fluoren-1-yl)butane-1,1,1-triol
CID 141018986
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
4-(9H-fluoren-1-yl)pentan-2-ol
CID 151971706
2-propan-2-yl-1H-indene;toluene
CID 161490529
3-ethylpentane;bis(9H-fluorene)
CID 161034043
1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
CID 151273743
1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
CID 19935939
1-(3-ethyl-9H-fluoren-1-yl)propan-1-ol
CID 151866764
2-(1H-inden-2-yl)butanoate
CID 23033096
1-(4-ethoxy-3-propan-2-ylphenyl)-9H-fluorene
CID 175394997
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium?
The IUPAC name of 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium (CID 173264324) is 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium.
What is the SMILES notation for 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium?
The canonical SMILES for 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium is CCC(C1=Cc2ccccc2C1)c1cccc2c1Cc1ccccc1-2.[Zr].
What is the InChIKey of 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium?
The InChIKey is CUCARZGBHRRVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22.Zr/c1-2-21(20-14-17-8-3-4-9-18(17)15-20)23-12-7-13-24-22-11-6-5-10-19(22)16-25(23)24;/h3-14,21H,2,15-16H2,1H3;.
What are the key properties of 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium?
1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium has a molecular weight of 413.68 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-inden-2-yl)propyl]-9H-fluorene;zirconium is sourced from PubChem (CID 173264324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).