2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene

C32H42 — CID 87109925

IUPAC2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene
SMILESCCCC1=CC(CCC)(C(C)(C)C)C(C2=CC=CC2)=C2C=c3cc(C(C)(C)C)ccc3=C12
InChIInChI=1S/C32H42/c1-9-13-23-21-32(18-10-2,31(6,7)8)29(22-14-11-12-15-22)27-20-24-19-25(30(3,4)5)16-17-26(24)28(23)27/h11-12,14,16-17,19-21H,9-10,13,15,18H2,1-8H3
InChIKeyFIEKGTVPWQHLSQ-UHFFFAOYSA-N
MW426.69 g/mol
LogP7.68
Rot. Bonds5

About 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene

2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene (PubChem CID 87109925) has the molecular formula C32H42 and a molecular weight of 426.69 g/mol. Its IUPAC name is 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene
PubChem CID87109925
Molecular FormulaC32H42
Molecular Weight426.69 g/mol
Exact Mass426.33
IUPAC Name2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene
SMILESCCCC1=CC(CCC)(C(C)(C)C)C(C2=CC=CC2)=C2C=c3cc(C(C)(C)C)ccc3=C12
InChIInChI=1S/C32H42/c1-9-13-23-21-32(18-10-2,31(6,7)8)29(22-14-11-12-15-22)27-20-24-19-25(30(3,4)5)16-17-26(24)28(23)27/h11-12,14,16-17,19-21H,9-10,13,15,18H2,1-8H3
InChIKeyFIEKGTVPWQHLSQ-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene
CID 87109725
benzhydrylidenezirconium(2+);2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,5-dipropyl-9H-fluoren-9-ide;dichloride
CID 87110432
cyclohexylidenezirconium;2,7-ditert-butyl-3-cyclopenta-1,3-dien-1-yl-2-ethyl-1H-fluoren-1-ide
CID 173346376
1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene
CID 87110280
1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene
CID 87110051
2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene
CID 19033036
cyclohexylidenezirconium;bis(2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide);dichloride
CID 18785394
2,7-ditert-butyl-3-[(4-butylphenyl)-(4-tert-butylphenyl)methylidene]-1-cyclopenta-1,3-dien-1-ylfluorene
CID 173216630
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
6-tert-butyl-1,2,3,4-tetrapropylnaphthalene
CID 101211334
2-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-ylfluorene
CID 87921945
16-tert-butyl-9-(3-methylcyclopenta-1,3-dien-1-yl)-5-propyltetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),2,4,8,10,14,16-heptaene
CID 140879728

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene?
The IUPAC name of 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene (CID 87109925) is 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene.
What is the SMILES notation for 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene?
The canonical SMILES for 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene is CCCC1=CC(CCC)(C(C)(C)C)C(C2=CC=CC2)=C2C=c3cc(C(C)(C)C)ccc3=C12.
What is the InChIKey of 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene?
The InChIKey is FIEKGTVPWQHLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42/c1-9-13-23-21-32(18-10-2,31(6,7)8)29(22-14-11-12-15-22)27-20-24-19-25(30(3,4)5)16-17-26(24)28(23)27/h11-12,14,16-17,19-21H,9-10,13,15,18H2,1-8H3.
What are the key properties of 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene?
2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene has a molecular weight of 426.69 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene is sourced from PubChem (CID 87109925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).