4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline

C25H18Cl2N2 — CID 18519384

IUPAC4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline
SMILESNc1ccc(-c2ccc3c(c2-c2ccc(N)c(Cl)c2)Cc2ccccc2-3)cc1Cl
InChIInChI=1S/C25H18Cl2N2/c26-21-12-15(5-9-23(21)28)18-7-8-19-17-4-2-1-3-14(17)11-20(19)25(18)16-6-10-24(29)22(27)13-16/h1-10,12-13H,11,28-29H2
InChIKeyOZTJXWNRQGNTPQ-UHFFFAOYSA-N
MW417.34 g/mol
LogP7.06
Rot. Bonds2

About 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline

4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline (PubChem CID 18519384) has the molecular formula C25H18Cl2N2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline.

Molecular Properties

Compound Name4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline
PubChem CID18519384
Molecular FormulaC25H18Cl2N2
Molecular Weight417.34 g/mol
Exact Mass416.08
IUPAC Name4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline
SMILESNc1ccc(-c2ccc3c(c2-c2ccc(N)c(Cl)c2)Cc2ccccc2-3)cc1Cl
InChIInChI=1S/C25H18Cl2N2/c26-21-12-15(5-9-23(21)28)18-7-8-19-17-4-2-1-3-14(17)11-20(19)25(18)16-6-10-24(29)22(27)13-16/h1-10,12-13H,11,28-29H2
InChIKeyOZTJXWNRQGNTPQ-UHFFFAOYSA-N
XLogP7.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline?
The IUPAC name of 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline (CID 18519384) is 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline.
What is the SMILES notation for 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline?
The canonical SMILES for 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline is Nc1ccc(-c2ccc3c(c2-c2ccc(N)c(Cl)c2)Cc2ccccc2-3)cc1Cl.
What is the InChIKey of 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline?
The InChIKey is OZTJXWNRQGNTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2/c26-21-12-15(5-9-23(21)28)18-7-8-19-17-4-2-1-3-14(17)11-20(19)25(18)16-6-10-24(29)22(27)13-16/h1-10,12-13H,11,28-29H2.
What are the key properties of 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline?
4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline has a molecular weight of 417.34 g/mol, XLogP of 7.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline is sourced from PubChem (CID 18519384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).