4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline

C25H19BrN2 — CID 18790937

IUPAC4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3cc(Br)ccc32)cc1
InChIInChI=1S/C25H19BrN2/c26-18-9-14-24-22(15-18)21-3-1-2-4-23(21)25(24,16-5-10-19(27)11-6-16)17-7-12-20(28)13-8-17/h1-15H,27-28H2
InChIKeyXLCCSOUCJJGGKM-UHFFFAOYSA-N
MW427.35 g/mol
LogP5.98
Rot. Bonds2

About 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline

4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline (PubChem CID 18790937) has the molecular formula C25H19BrN2 and a molecular weight of 427.35 g/mol. Its IUPAC name is 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline.

Molecular Properties

Compound Name4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
PubChem CID18790937
Molecular FormulaC25H19BrN2
Molecular Weight427.35 g/mol
Exact Mass426.07
IUPAC Name4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3cc(Br)ccc32)cc1
InChIInChI=1S/C25H19BrN2/c26-18-9-14-24-22(15-18)21-3-1-2-4-23(21)25(24,16-5-10-19(27)11-6-16)17-7-12-20(28)13-8-17/h1-15H,27-28H2
InChIKeyXLCCSOUCJJGGKM-UHFFFAOYSA-N
XLogP5.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
CID 141181007
10-bromo-7,7-diphenylbenzo[a]phenalene
CID 118532999
4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline
CID 174176582
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
9-(4-bromophenyl)-9-(3-chlorophenyl)fluorene
CID 176760002
3-bromo-9,10-bis(4-methylphenyl)phenanthrene-9,10-diol
CID 142739230
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
CID 146414271
CID 146414271

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline?
The IUPAC name of 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline (CID 18790937) is 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline.
What is the SMILES notation for 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline?
The canonical SMILES for 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline is Nc1ccc(C2(c3ccc(N)cc3)c3ccccc3-c3cc(Br)ccc32)cc1.
What is the InChIKey of 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline?
The InChIKey is XLCCSOUCJJGGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2/c26-18-9-14-24-22(15-18)21-3-1-2-4-23(21)25(24,16-5-10-19(27)11-6-16)17-7-12-20(28)13-8-17/h1-15H,27-28H2.
What are the key properties of 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline?
4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline has a molecular weight of 427.35 g/mol, XLogP of 5.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline is sourced from PubChem (CID 18790937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).