9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene

C28H26Cl2 — CID 175180317

IUPAC9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene
SMILESCCC(CC1=CC=CC1)C1(C2C(C)=CC(Cl)=C2Cl)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26Cl2/c1-3-20(17-19-10-4-5-11-19)28(26-18(2)16-25(29)27(26)30)23-14-8-6-12-21(23)22-13-7-9-15-24(22)28/h4-10,12-16,20,26H,3,11,17H2,1-2H3
InChIKeyQCUNRUCPZDTMEF-UHFFFAOYSA-N
MW433.42 g/mol
LogP8.52
Rot. Bonds5

About 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene

9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene (PubChem CID 175180317) has the molecular formula C28H26Cl2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene.

Molecular Properties

Compound Name9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene
PubChem CID175180317
Molecular FormulaC28H26Cl2
Molecular Weight433.42 g/mol
Exact Mass432.14
IUPAC Name9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene
SMILESCCC(CC1=CC=CC1)C1(C2C(C)=CC(Cl)=C2Cl)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26Cl2/c1-3-20(17-19-10-4-5-11-19)28(26-18(2)16-25(29)27(26)30)23-14-8-6-12-21(23)22-13-7-9-15-24(22)28/h4-10,12-16,20,26H,3,11,17H2,1-2H3
InChIKeyQCUNRUCPZDTMEF-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.42
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene?
The IUPAC name of 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene (CID 175180317) is 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene.
What is the SMILES notation for 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene?
The canonical SMILES for 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene is CCC(CC1=CC=CC1)C1(C2C(C)=CC(Cl)=C2Cl)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene?
The InChIKey is QCUNRUCPZDTMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2/c1-3-20(17-19-10-4-5-11-19)28(26-18(2)16-25(29)27(26)30)23-14-8-6-12-21(23)22-13-7-9-15-24(22)28/h4-10,12-16,20,26H,3,11,17H2,1-2H3.
What are the key properties of 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene?
9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene has a molecular weight of 433.42 g/mol, XLogP of 8.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclopenta-1,3-dien-1-ylbutan-2-yl)-9-(2,3-dichloro-5-methylcyclopenta-2,4-dien-1-yl)fluorene is sourced from PubChem (CID 175180317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).