4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline

C25H18BrFN2 — CID 174176582

IUPAC4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)c3cc(F)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C25H18BrFN2/c26-17-5-11-21-22-12-6-18(27)14-24(22)25(23(21)13-17,15-1-7-19(28)8-2-15)16-3-9-20(29)10-4-16/h1-14H,28-29H2
InChIKeyKGSKIDQQFHNQOP-UHFFFAOYSA-N
MW445.34 g/mol
LogP6.12
Rot. Bonds2

About 4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline

4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline (PubChem CID 174176582) has the molecular formula C25H18BrFN2 and a molecular weight of 445.34 g/mol. Its IUPAC name is 4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline.

Molecular Properties

Compound Name4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline
PubChem CID174176582
Molecular FormulaC25H18BrFN2
Molecular Weight445.34 g/mol
Exact Mass444.06
IUPAC Name4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline
SMILESNc1ccc(C2(c3ccc(N)cc3)c3cc(F)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C25H18BrFN2/c26-17-5-11-21-22-12-6-18(27)14-24(22)25(23(21)13-17,15-1-7-19(28)8-2-15)16-3-9-20(29)10-4-16/h1-14H,28-29H2
InChIKeyKGSKIDQQFHNQOP-UHFFFAOYSA-N
XLogP6.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.34
LogP ≤ 56.12
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

4-[9-(4-aminophenyl)-3-bromofluoren-9-yl]aniline
CID 18790937
4-[2,7-dibromo-9-(3,5-dimethylphenyl)fluoren-9-yl]phenol
CID 174433449
2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine
CID 59742364
4-[9-(4-aminophenyl)-2,7-dibromofluoren-9-yl]aniline;aniline;2,7-dibromofluoren-9-one;4-[2,7-dibromo-9-[4-(N-phenylanilino)phenyl]fluoren-9-yl]-N,N-diphenylaniline;iodobenzene
CID 159922622
N-[4-[2,7-dibromo-9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59398831
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
2,7-dibromo-9,9-bis(4-prop-2-ynoxyphenyl)fluorene
CID 102522852
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
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline?
The IUPAC name of 4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline (CID 174176582) is 4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline.
What is the SMILES notation for 4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline?
The canonical SMILES for 4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline is Nc1ccc(C2(c3ccc(N)cc3)c3cc(F)ccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline?
The InChIKey is KGSKIDQQFHNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrFN2/c26-17-5-11-21-22-12-6-18(27)14-24(22)25(23(21)13-17,15-1-7-19(28)8-2-15)16-3-9-20(29)10-4-16/h1-14H,28-29H2.
What are the key properties of 4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline?
4-[9-(4-aminophenyl)-2-bromo-7-fluorofluoren-9-yl]aniline has a molecular weight of 445.34 g/mol, XLogP of 6.12, 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)-2-bromo-7-fluorofluoren-9-yl]aniline is sourced from PubChem (CID 174176582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).