4-(2-chlorophenyl)-9,9-diphenylfluorene

C31H21Cl — CID 126543659

IUPAC4-(2-chlorophenyl)-9,9-diphenylfluorene
SMILESClc1ccccc1-c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H21Cl/c32-29-21-10-8-16-24(29)25-18-11-20-28-30(25)26-17-7-9-19-27(26)31(28,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h1-21H
InChIKeyKZTKTOUDRRNTNB-UHFFFAOYSA-N
MW428.96 g/mol
LogP8.37
Rot. Bonds3

About 4-(2-chlorophenyl)-9,9-diphenylfluorene

4-(2-chlorophenyl)-9,9-diphenylfluorene (PubChem CID 126543659) has the molecular formula C31H21Cl and a molecular weight of 428.96 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-9,9-diphenylfluorene.

Molecular Properties

Compound Name4-(2-chlorophenyl)-9,9-diphenylfluorene
PubChem CID126543659
Molecular FormulaC31H21Cl
Molecular Weight428.96 g/mol
Exact Mass428.13
IUPAC Name4-(2-chlorophenyl)-9,9-diphenylfluorene
SMILESClc1ccccc1-c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H21Cl/c32-29-21-10-8-16-24(29)25-18-11-20-28-30(25)26-17-7-9-19-27(26)31(28,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h1-21H
InChIKeyKZTKTOUDRRNTNB-UHFFFAOYSA-N
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-9,9-diphenylfluorene?
The IUPAC name of 4-(2-chlorophenyl)-9,9-diphenylfluorene (CID 126543659) is 4-(2-chlorophenyl)-9,9-diphenylfluorene.
What is the SMILES notation for 4-(2-chlorophenyl)-9,9-diphenylfluorene?
The canonical SMILES for 4-(2-chlorophenyl)-9,9-diphenylfluorene is Clc1ccccc1-c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-chlorophenyl)-9,9-diphenylfluorene?
The InChIKey is KZTKTOUDRRNTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21Cl/c32-29-21-10-8-16-24(29)25-18-11-20-28-30(25)26-17-7-9-19-27(26)31(28,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h1-21H.
What are the key properties of 4-(2-chlorophenyl)-9,9-diphenylfluorene?
4-(2-chlorophenyl)-9,9-diphenylfluorene has a molecular weight of 428.96 g/mol, XLogP of 8.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-9,9-diphenylfluorene is sourced from PubChem (CID 126543659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).