2-chloro-4-(9-chlorofluoren-9-yl)aniline

C19H13Cl2N — CID 23369098

IUPAC2-chloro-4-(9-chlorofluoren-9-yl)aniline
SMILESNc1ccc(C2(Cl)c3ccccc3-c3ccccc32)cc1Cl
InChIInChI=1S/C19H13Cl2N/c20-17-11-12(9-10-18(17)22)19(21)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-11H,22H2
InChIKeyCEKTVXPSQXOEPR-UHFFFAOYSA-N
MW326.23 g/mol
LogP5.43
Rot. Bonds1

About 2-chloro-4-(9-chlorofluoren-9-yl)aniline

2-chloro-4-(9-chlorofluoren-9-yl)aniline (PubChem CID 23369098) has the molecular formula C19H13Cl2N and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-chloro-4-(9-chlorofluoren-9-yl)aniline.

Molecular Properties

Compound Name2-chloro-4-(9-chlorofluoren-9-yl)aniline
PubChem CID23369098
Molecular FormulaC19H13Cl2N
Molecular Weight326.23 g/mol
Exact Mass325.04
IUPAC Name2-chloro-4-(9-chlorofluoren-9-yl)aniline
SMILESNc1ccc(C2(Cl)c3ccccc3-c3ccccc32)cc1Cl
InChIInChI=1S/C19H13Cl2N/c20-17-11-12(9-10-18(17)22)19(21)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-11H,22H2
InChIKeyCEKTVXPSQXOEPR-UHFFFAOYSA-N
XLogP5.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.23
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(9-chlorofluoren-9-yl)aniline?
The IUPAC name of 2-chloro-4-(9-chlorofluoren-9-yl)aniline (CID 23369098) is 2-chloro-4-(9-chlorofluoren-9-yl)aniline.
What is the SMILES notation for 2-chloro-4-(9-chlorofluoren-9-yl)aniline?
The canonical SMILES for 2-chloro-4-(9-chlorofluoren-9-yl)aniline is Nc1ccc(C2(Cl)c3ccccc3-c3ccccc32)cc1Cl.
What is the InChIKey of 2-chloro-4-(9-chlorofluoren-9-yl)aniline?
The InChIKey is CEKTVXPSQXOEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N/c20-17-11-12(9-10-18(17)22)19(21)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-11H,22H2.
What are the key properties of 2-chloro-4-(9-chlorofluoren-9-yl)aniline?
2-chloro-4-(9-chlorofluoren-9-yl)aniline has a molecular weight of 326.23 g/mol, XLogP of 5.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(9-chlorofluoren-9-yl)aniline is sourced from PubChem (CID 23369098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).