1-(2-chlorophenyl)-9,9'-spirobi[fluorene]

C31H19Cl — CID 130380139

IUPAC1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1ccccc1-c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C31H19Cl/c32-29-19-8-4-13-23(29)25-15-9-14-24-22-12-3-7-18-28(22)31(30(24)25)26-16-5-1-10-20(26)21-11-2-6-17-27(21)31/h1-19H
InChIKeyDAFVXKOJIIWMBB-UHFFFAOYSA-N
MW426.95 g/mol
LogP8.35
Rot. Bonds1

About 1-(2-chlorophenyl)-9,9'-spirobi[fluorene]

1-(2-chlorophenyl)-9,9'-spirobi[fluorene] (PubChem CID 130380139) has the molecular formula C31H19Cl and a molecular weight of 426.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
PubChem CID130380139
Molecular FormulaC31H19Cl
Molecular Weight426.95 g/mol
Exact Mass426.12
IUPAC Name1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
SMILESClc1ccccc1-c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C31H19Cl/c32-29-19-8-4-13-23(29)25-15-9-14-24-22-12-3-7-18-28(22)31(30(24)25)26-16-5-1-10-20(26)21-11-2-6-17-27(21)31/h1-19H
InChIKeyDAFVXKOJIIWMBB-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.95
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-9,9'-spirobi[fluorene]?
The IUPAC name of 1-(2-chlorophenyl)-9,9'-spirobi[fluorene] (CID 130380139) is 1-(2-chlorophenyl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 1-(2-chlorophenyl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 1-(2-chlorophenyl)-9,9'-spirobi[fluorene] is Clc1ccccc1-c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 1-(2-chlorophenyl)-9,9'-spirobi[fluorene]?
The InChIKey is DAFVXKOJIIWMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19Cl/c32-29-19-8-4-13-23(29)25-15-9-14-24-22-12-3-7-18-28(22)31(30(24)25)26-16-5-1-10-20(26)21-11-2-6-17-27(21)31/h1-19H.
What are the key properties of 1-(2-chlorophenyl)-9,9'-spirobi[fluorene]?
1-(2-chlorophenyl)-9,9'-spirobi[fluorene] has a molecular weight of 426.95 g/mol, XLogP of 8.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 130380139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).