9-[bis(4-chlorophenyl)methyl]-9H-fluorene

C26H18Cl2 — CID 68532755

IUPAC9-[bis(4-chlorophenyl)methyl]-9H-fluorene
SMILESClc1ccc(C(c2ccc(Cl)cc2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H18Cl2/c27-19-13-9-17(10-14-19)25(18-11-15-20(28)16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-16,25-26H
InChIKeyCACLEKTVSGALKD-UHFFFAOYSA-N
MW401.34 g/mol
LogP7.94
Rot. Bonds3

About 9-[bis(4-chlorophenyl)methyl]-9H-fluorene

9-[bis(4-chlorophenyl)methyl]-9H-fluorene (PubChem CID 68532755) has the molecular formula C26H18Cl2 and a molecular weight of 401.34 g/mol. Its IUPAC name is 9-[bis(4-chlorophenyl)methyl]-9H-fluorene.

Molecular Properties

Compound Name9-[bis(4-chlorophenyl)methyl]-9H-fluorene
PubChem CID68532755
Molecular FormulaC26H18Cl2
Molecular Weight401.34 g/mol
Exact Mass400.08
IUPAC Name9-[bis(4-chlorophenyl)methyl]-9H-fluorene
SMILESClc1ccc(C(c2ccc(Cl)cc2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H18Cl2/c27-19-13-9-17(10-14-19)25(18-11-15-20(28)16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-16,25-26H
InChIKeyCACLEKTVSGALKD-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.34
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[bis(4-chlorophenyl)methyl]-9H-fluorene?
The IUPAC name of 9-[bis(4-chlorophenyl)methyl]-9H-fluorene (CID 68532755) is 9-[bis(4-chlorophenyl)methyl]-9H-fluorene.
What is the SMILES notation for 9-[bis(4-chlorophenyl)methyl]-9H-fluorene?
The canonical SMILES for 9-[bis(4-chlorophenyl)methyl]-9H-fluorene is Clc1ccc(C(c2ccc(Cl)cc2)C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[bis(4-chlorophenyl)methyl]-9H-fluorene?
The InChIKey is CACLEKTVSGALKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2/c27-19-13-9-17(10-14-19)25(18-11-15-20(28)16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26/h1-16,25-26H.
What are the key properties of 9-[bis(4-chlorophenyl)methyl]-9H-fluorene?
9-[bis(4-chlorophenyl)methyl]-9H-fluorene has a molecular weight of 401.34 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[bis(4-chlorophenyl)methyl]-9H-fluorene is sourced from PubChem (CID 68532755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).