7-bromo-9,9-dihexylfluoren-2-amine

C25H34BrN — CID 66869884

IUPAC7-bromo-9,9-dihexylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H34BrN/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16,27H2,1-2H3
InChIKeyKQBYNLQHSRKWSH-UHFFFAOYSA-N
MW428.46 g/mol
LogP8.24
Rot. Bonds10

About 7-bromo-9,9-dihexylfluoren-2-amine

7-bromo-9,9-dihexylfluoren-2-amine (PubChem CID 66869884) has the molecular formula C25H34BrN and a molecular weight of 428.46 g/mol. Its IUPAC name is 7-bromo-9,9-dihexylfluoren-2-amine.

Molecular Properties

Compound Name7-bromo-9,9-dihexylfluoren-2-amine
PubChem CID66869884
Molecular FormulaC25H34BrN
Molecular Weight428.46 g/mol
Exact Mass427.19
IUPAC Name7-bromo-9,9-dihexylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H34BrN/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16,27H2,1-2H3
InChIKeyKQBYNLQHSRKWSH-UHFFFAOYSA-N
XLogP8.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9,9-dihexylfluoren-2-amine?
The IUPAC name of 7-bromo-9,9-dihexylfluoren-2-amine (CID 66869884) is 7-bromo-9,9-dihexylfluoren-2-amine.
What is the SMILES notation for 7-bromo-9,9-dihexylfluoren-2-amine?
The canonical SMILES for 7-bromo-9,9-dihexylfluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(N)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-9,9-dihexylfluoren-2-amine?
The InChIKey is KQBYNLQHSRKWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34BrN/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16,27H2,1-2H3.
What are the key properties of 7-bromo-9,9-dihexylfluoren-2-amine?
7-bromo-9,9-dihexylfluoren-2-amine has a molecular weight of 428.46 g/mol, XLogP of 8.24, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9,9-dihexylfluoren-2-amine is sourced from PubChem (CID 66869884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).