3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline

C25H20N2 — CID 161432491

IUPAC3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
SMILESNc1ccc(-c2c(-c3cccc(N)c3)ccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C25H20N2/c26-19-10-8-16(9-11-19)25-22(17-5-3-6-20(27)14-17)12-13-23-21-7-2-1-4-18(21)15-24(23)25/h1-14H,15,26-27H2
InChIKeyVYEZKOMZTSVFEY-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.76
Rot. Bonds2

About 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline

3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline (PubChem CID 161432491) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline.

Molecular Properties

Compound Name3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
PubChem CID161432491
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
SMILESNc1ccc(-c2c(-c3cccc(N)c3)ccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C25H20N2/c26-19-10-8-16(9-11-19)25-22(17-5-3-6-20(27)14-17)12-13-23-21-7-2-1-4-18(21)15-24(23)25/h1-14H,15,26-27H2
InChIKeyVYEZKOMZTSVFEY-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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Related Compounds

3-[1-[3-[2-(3-aminophenyl)-9H-fluoren-1-yl]phenyl]-9H-fluoren-2-yl]aniline
CID 150438083
4-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline
CID 19793996
3-[2-[4-[1-[4-[2-(3-aminophenoxy)phenyl]phenyl]-9H-fluoren-2-yl]phenyl]phenoxy]aniline
CID 158125426
4-(2-bromo-9H-fluoren-1-yl)aniline
CID 175575602
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173
4-[1-(4-amino-3-chlorophenyl)-9H-fluoren-2-yl]-2-chloroaniline
CID 18519384
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
3-[4-(9H-fluoren-1-yl)-2-phenylphenoxy]aniline
CID 151877330
4-[1-[4-amino-2-(trifluoromethyl)phenyl]-9H-fluoren-2-yl]-3-(trifluoromethyl)aniline
CID 141324145

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline?
The IUPAC name of 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline (CID 161432491) is 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline.
What is the SMILES notation for 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline?
The canonical SMILES for 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline is Nc1ccc(-c2c(-c3cccc(N)c3)ccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline?
The InChIKey is VYEZKOMZTSVFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c26-19-10-8-16(9-11-19)25-22(17-5-3-6-20(27)14-17)12-13-23-21-7-2-1-4-18(21)15-24(23)25/h1-14H,15,26-27H2.
What are the key properties of 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline?
3-[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 3-[1-(4-aminophenyl)-9H-fluoren-2-yl]aniline is sourced from PubChem (CID 161432491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).