butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium

C36H41Zr- — CID 173317551

IUPACbutane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
SMILESCCCC.[CH2-]CCCCCc1cccc2c1Cc1ccccc1-2.[Zr].c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H21.C13H10.C4H10.Zr/c1-2-3-4-5-9-15-11-8-13-18-17-12-7-6-10-16(17)14-19(15)18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-4-2;/h6-8,10-13H,1-5,9,14H2;1-8H,9H2;3-4H2,1-2H3;/q-1;;;
InChIKeyLPWSLZBXAJZAOV-UHFFFAOYSA-N
MW564.95 g/mol
LogP10.26
Rot. Bonds6

About butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium

butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium (PubChem CID 173317551) has the molecular formula C36H41Zr- and a molecular weight of 564.95 g/mol. Its IUPAC name is butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium.

Molecular Properties

Compound Namebutane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
PubChem CID173317551
Molecular FormulaC36H41Zr-
Molecular Weight564.95 g/mol
Exact Mass563.23
IUPAC Namebutane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
SMILESCCCC.[CH2-]CCCCCc1cccc2c1Cc1ccccc1-2.[Zr].c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H21.C13H10.C4H10.Zr/c1-2-3-4-5-9-15-11-8-13-18-17-12-7-6-10-16(17)14-19(15)18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-4-2;/h6-8,10-13H,1-5,9,14H2;1-8H,9H2;3-4H2,1-2H3;/q-1;;;
InChIKeyLPWSLZBXAJZAOV-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.95
LogP ≤ 510.26
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

5-(9H-fluoren-1-yl)pentane-1-thiol
CID 141354890
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
CID 151971202
1,2-dihexyl-9H-fluorene
CID 22141601
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
1-(4,4,4-trifluorobutyl)-9H-fluorene
CID 157441303
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-butyl-2-decyl-9H-fluorene
CID 151429799
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
9H-fluorene;nonylbenzene
CID 161236553
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835

Frequently Asked Questions

What is the IUPAC name of butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium?
The IUPAC name of butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium (CID 173317551) is butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium.
What is the SMILES notation for butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium?
The canonical SMILES for butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium is CCCC.[CH2-]CCCCCc1cccc2c1Cc1ccccc1-2.[Zr].c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium?
The InChIKey is LPWSLZBXAJZAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21.C13H10.C4H10.Zr/c1-2-3-4-5-9-15-11-8-13-18-17-12-7-6-10-16(17)14-19(15)18;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-4-2;/h6-8,10-13H,1-5,9,14H2;1-8H,9H2;3-4H2,1-2H3;/q-1;;;.
What are the key properties of butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium?
butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium has a molecular weight of 564.95 g/mol, XLogP of 10.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium is sourced from PubChem (CID 173317551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).