2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene

C28H34 — CID 19033036

IUPAC2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene
SMILESCCC1=C(C2(C(C)(C)C)C=CC3=c4ccc(C(C)(C)C)cc4=CC3=C2)CC=C1
InChIInChI=1S/C28H34/c1-8-19-10-9-11-25(19)28(27(5,6)7)15-14-24-21(18-28)16-20-17-22(26(2,3)4)12-13-23(20)24/h9-10,12-18H,8,11H2,1-7H3
InChIKeyULAGIBDOYUEFAW-UHFFFAOYSA-N
MW370.58 g/mol
LogP6.12
Rot. Bonds2

About 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene

2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene (PubChem CID 19033036) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene
PubChem CID19033036
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene
SMILESCCC1=C(C2(C(C)(C)C)C=CC3=c4ccc(C(C)(C)C)cc4=CC3=C2)CC=C1
InChIInChI=1S/C28H34/c1-8-19-10-9-11-25(19)28(27(5,6)7)15-14-24-21(18-28)16-20-17-22(26(2,3)4)12-13-23(20)24/h9-10,12-18H,8,11H2,1-7H3
InChIKeyULAGIBDOYUEFAW-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 56.12
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
cyclohexylidenezirconium;bis(2,7-ditert-butyl-2-cyclopenta-1,3-dien-1-yl-1H-fluoren-1-ide);dichloride
CID 18785394
2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene
CID 87109925
cyclohexylidenezirconium;2,7-ditert-butyl-3-cyclopenta-1,3-dien-1-yl-2-ethyl-1H-fluoren-1-ide
CID 173346376
2',7'-ditert-butylspiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 156896533
2,7-ditert-butyl-1-(2-ethylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide;propan-2-ylidenezirconium
CID 173333548
3-bromo-9,9-dimethylbenzo[a]fluorene
CID 162691316
1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene
CID 87110280
(6R)-1-tert-butyl-2-ethyl-6-methylcyclohexa-1,3-diene
CID 162785526
7-tert-butyl-1,2-dihydronaphthalene
CID 58093565
2-ethyl-1-[(2-ethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 19381548
(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene?
The IUPAC name of 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene (CID 19033036) is 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene.
What is the SMILES notation for 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene?
The canonical SMILES for 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene is CCC1=C(C2(C(C)(C)C)C=CC3=c4ccc(C(C)(C)C)cc4=CC3=C2)CC=C1.
What is the InChIKey of 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene?
The InChIKey is ULAGIBDOYUEFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-8-19-10-9-11-25(19)28(27(5,6)7)15-14-24-21(18-28)16-20-17-22(26(2,3)4)12-13-23(20)24/h9-10,12-18H,8,11H2,1-7H3.
What are the key properties of 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene?
2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene has a molecular weight of 370.58 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-2-(2-ethylcyclopenta-1,3-dien-1-yl)fluorene is sourced from PubChem (CID 19033036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).