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

C30H38 — CID 87109725

IUPAC2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene
SMILESCCC1=CC(CC)(C(C)(C)C)C(C2=CC=CC2)=C2C=c3cc(C(C)(C)C)ccc3=C12
InChIInChI=1S/C30H38/c1-9-20-19-30(10-2,29(6,7)8)27(21-13-11-12-14-21)25-18-22-17-23(28(3,4)5)15-16-24(22)26(20)25/h11-13,15-19H,9-10,14H2,1-8H3
InChIKeyZXUSOGWSCOPNQH-UHFFFAOYSA-N
MW398.63 g/mol
LogP6.90
Rot. Bonds3

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

2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene (PubChem CID 87109725) has the molecular formula C30H38 and a molecular weight of 398.63 g/mol. Its IUPAC name is 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene
PubChem CID87109725
Molecular FormulaC30H38
Molecular Weight398.63 g/mol
Exact Mass398.30
IUPAC Name2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene
SMILESCCC1=CC(CC)(C(C)(C)C)C(C2=CC=CC2)=C2C=c3cc(C(C)(C)C)ccc3=C12
InChIInChI=1S/C30H38/c1-9-20-19-30(10-2,29(6,7)8)27(21-13-11-12-14-21)25-18-22-17-23(28(3,4)5)15-16-24(22)26(20)25/h11-13,15-19H,9-10,14H2,1-8H3
InChIKeyZXUSOGWSCOPNQH-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 56.90
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-dipropylfluorene
CID 87109925
1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene
CID 87110051
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
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
(1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-5-trimethylsilylfluoren-2-yl)-trimethylsilane
CID 87109866
benzhydrylidenezirconium(2+);1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-methyl-9H-fluoren-9-ide;dichloride
CID 87109620
2-[bis(4-chlorophenyl)methylidene]-3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-ylfluorene
CID 87921945
5-tert-butylinden-2-one
CID 175126948
3,6-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2-cyclopentylidene-9H-fluoren-9-ide;zirconium(3+);dichloride
CID 87774448
2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-3-methylidene-9H-fluoren-9-ide;methanidylcyclohexane;zirconium(4+);dichloride
CID 87960811

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene?
The IUPAC name of 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene (CID 87109725) is 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene.
What is the SMILES notation for 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene?
The canonical SMILES for 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene is CCC1=CC(CC)(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-diethylfluorene?
The InChIKey is ZXUSOGWSCOPNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38/c1-9-20-19-30(10-2,29(6,7)8)27(21-13-11-12-14-21)25-18-22-17-23(28(3,4)5)15-16-24(22)26(20)25/h11-13,15-19H,9-10,14H2,1-8H3.
What are the key properties of 2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene?
2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene has a molecular weight of 398.63 g/mol, XLogP of 6.90, 3 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-diethylfluorene is sourced from PubChem (CID 87109725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).