1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene

C40H34 — CID 87110051

IUPAC1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene
SMILESCCc1ccc2c(c1)=CC1=C(C3=CC=CC3)C(CC)(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C=21
InChIInChI=1S/C40H34/c1-3-28-24-25-34-32(26-28)27-35-37(34)36(29-16-8-5-9-17-29)39(31-18-10-6-11-19-31)40(4-2,33-22-12-7-13-23-33)38(35)30-20-14-15-21-30/h5-20,22-27H,3-4,21H2,1-2H3
InChIKeyCACZMNFJYXQAKM-UHFFFAOYSA-N
MW514.71 g/mol
LogP8.35
Rot. Bonds6

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

1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene (PubChem CID 87110051) has the molecular formula C40H34 and a molecular weight of 514.71 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene
PubChem CID87110051
Molecular FormulaC40H34
Molecular Weight514.71 g/mol
Exact Mass514.27
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene
SMILESCCc1ccc2c(c1)=CC1=C(C3=CC=CC3)C(CC)(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C=21
InChIInChI=1S/C40H34/c1-3-28-24-25-34-32(26-28)27-35-37(34)36(29-16-8-5-9-17-29)39(31-18-10-6-11-19-31)40(4-2,33-22-12-7-13-23-33)38(35)30-20-14-15-21-30/h5-20,22-27H,3-4,21H2,1-2H3
InChIKeyCACZMNFJYXQAKM-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-propylfluorene
CID 87110280
benzhydrylidenezirconium(2+);1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2-methyl-9H-fluoren-9-ide;dichloride
CID 87109620
benzhydrylidenezirconium(2+);1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,3,4-triphenyl-9H-fluoren-9-ide;dichloride
CID 87110047
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-dimethyl-2,5-diphenylfluorene
CID 87109712
(1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-5-trimethylsilylfluoren-2-yl)-trimethylsilane
CID 87109866
[1,2-bis(methoxymethyl)-3,4,5-triphenylcyclopenta-2,4-dien-1-yl]benzene
CID 67415465
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
2-cyclopenta-1,3-dien-1-ylaniline;1-ethyl-4-methylbenzene
CID 144960325
4-ethyl-2-methyl-1-(4-methyl-3-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 153289429
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene (CID 87110051) is 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene is CCc1ccc2c(c1)=CC1=C(C3=CC=CC3)C(CC)(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C=21.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene?
The InChIKey is CACZMNFJYXQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34/c1-3-28-24-25-34-32(26-28)27-35-37(34)36(29-16-8-5-9-17-29)39(31-18-10-6-11-19-31)40(4-2,33-22-12-7-13-23-33)38(35)30-20-14-15-21-30/h5-20,22-27H,3-4,21H2,1-2H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene?
1-cyclopenta-1,3-dien-1-yl-2,7-diethyl-2,3,4-triphenylfluorene has a molecular weight of 514.71 g/mol, XLogP of 8.35, 6 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-triphenylfluorene is sourced from PubChem (CID 87110051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).