4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline

C25H20N2 — CID 19793996

IUPAC4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
SMILESNc1ccc(-c2ccc3c(c2-c2ccc(N)cc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H20N2/c26-19-9-5-16(6-10-19)22-13-14-23-21-4-2-1-3-18(21)15-24(23)25(22)17-7-11-20(27)12-8-17/h1-14H,15,26-27H2
InChIKeyRBCRDGPAIUTPGK-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.76
Rot. Bonds2

About 4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline

4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline (PubChem CID 19793996) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
PubChem CID19793996
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
SMILESNc1ccc(-c2ccc3c(c2-c2ccc(N)cc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C25H20N2/c26-19-9-5-16(6-10-19)22-13-14-23-21-4-2-1-3-18(21)15-24(23)25(22)17-7-11-20(27)12-8-17/h1-14H,15,26-27H2
InChIKeyRBCRDGPAIUTPGK-UHFFFAOYSA-N
XLogP5.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.76
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-aminophenyl)-9H-fluoren-2-yl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline (CID 19793996) is 4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline is Nc1ccc(-c2ccc3c(c2-c2ccc(N)cc2)Cc2ccccc2-3)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline?
The InChIKey is RBCRDGPAIUTPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c26-19-9-5-16(6-10-19)22-13-14-23-21-4-2-1-3-18(21)15-24(23)25(22)17-7-11-20(27)12-8-17/h1-14H,15,26-27H2.
What are the key properties of 4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline?
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline has a molecular weight of 348.45 g/mol, XLogP of 5.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline is sourced from PubChem (CID 19793996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).