1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene

C32H26 — CID 87109712

IUPAC1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene
SMILESCc1cc(-c2ccccc2)c2c(c1)=CC1=C(C3=CC=CC3)C(C)(c3ccccc3)C=CC=21
InChIInChI=1S/C32H26/c1-22-19-25-21-29-27(30(25)28(20-22)23-11-5-3-6-12-23)17-18-32(2,26-15-7-4-8-16-26)31(29)24-13-9-10-14-24/h3-13,15-21H,14H2,1-2H3
InChIKeyFLNUQGCZVAVTCE-UHFFFAOYSA-N
MW410.56 g/mol
LogP6.32
Rot. Bonds3

About 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene

1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene (PubChem CID 87109712) has the molecular formula C32H26 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene
PubChem CID87109712
Molecular FormulaC32H26
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene
SMILESCc1cc(-c2ccccc2)c2c(c1)=CC1=C(C3=CC=CC3)C(C)(c3ccccc3)C=CC=21
InChIInChI=1S/C32H26/c1-22-19-25-21-29-27(30(25)28(20-22)23-11-5-3-6-12-23)17-18-32(2,26-15-7-4-8-16-26)31(29)24-13-9-10-14-24/h3-13,15-21H,14H2,1-2H3
InChIKeyFLNUQGCZVAVTCE-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene (CID 87109712) is 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene is Cc1cc(-c2ccccc2)c2c(c1)=CC1=C(C3=CC=CC3)C(C)(c3ccccc3)C=CC=21.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene?
The InChIKey is FLNUQGCZVAVTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26/c1-22-19-25-21-29-27(30(25)28(20-22)23-11-5-3-6-12-23)17-18-32(2,26-15-7-4-8-16-26)31(29)24-13-9-10-14-24/h3-13,15-21H,14H2,1-2H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene?
1-cyclopenta-1,3-dien-1-yl-2,7-dimethyl-2,5-diphenylfluorene has a molecular weight of 410.56 g/mol, XLogP of 6.32, 3 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-dimethyl-2,5-diphenylfluorene is sourced from PubChem (CID 87109712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).