1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene

C34H46 — CID 87109748

IUPAC1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene
SMILESCCCC1=C(CCC)C(CC)(CCC)C(C2=CC=CC2)=C2C=c3cc(CC)cc(CCC)c3=C21
InChIInChI=1S/C34H46/c1-7-15-26-21-24(11-5)22-27-23-29-32(31(26)27)28(16-8-2)30(17-9-3)34(12-6,20-10-4)33(29)25-18-13-14-19-25/h13-14,18,21-23H,7-12,15-17,19-20H2,1-6H3
InChIKeyZWJZGOSWEKLUIW-UHFFFAOYSA-N
MW454.74 g/mol
LogP8.44
Rot. Bonds11

About 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene

1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene (PubChem CID 87109748) has the molecular formula C34H46 and a molecular weight of 454.74 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene
PubChem CID87109748
Molecular FormulaC34H46
Molecular Weight454.74 g/mol
Exact Mass454.36
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene
SMILESCCCC1=C(CCC)C(CC)(CCC)C(C2=CC=CC2)=C2C=c3cc(CC)cc(CCC)c3=C21
InChIInChI=1S/C34H46/c1-7-15-26-21-24(11-5)22-27-23-29-32(31(26)27)28(16-8-2)30(17-9-3)34(12-6,20-10-4)33(29)25-18-13-14-19-25/h13-14,18,21-23H,7-12,15-17,19-20H2,1-6H3
InChIKeyZWJZGOSWEKLUIW-UHFFFAOYSA-N
XLogP8.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene with MolForge

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Related Compounds

(1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-5-trimethylsilylfluoren-2-yl)-trimethylsilane
CID 87109866
1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene
CID 87110280
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
2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-2,4-diethylfluorene
CID 87109725
4-ethyl-2,6-dipropylphenol
CID 66879596
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
1,2-diethyl-4-propylbenzene
CID 54363919
2-butyl-4-ethyl-6-propylphenol
CID 66988794
benzhydrylidenezirconium(2+);1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-methyl-9H-fluoren-9-ide;dichloride
CID 87109620
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689
(2,4,6-tripropylphenyl)phosphane
CID 158148560

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene (CID 87109748) is 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene is CCCC1=C(CCC)C(CC)(CCC)C(C2=CC=CC2)=C2C=c3cc(CC)cc(CCC)c3=C21.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene?
The InChIKey is ZWJZGOSWEKLUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46/c1-7-15-26-21-24(11-5)22-27-23-29-32(31(26)27)28(16-8-2)30(17-9-3)34(12-6,20-10-4)33(29)25-18-13-14-19-25/h13-14,18,21-23H,7-12,15-17,19-20H2,1-6H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene?
1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene has a molecular weight of 454.74 g/mol, XLogP of 8.44, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4,5-tetrapropylfluorene is sourced from PubChem (CID 87109748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).