9-(4-bromophenyl)-9H-fluorene-2,7-diamine

C19H15BrN2 — CID 162651875

IUPAC9-(4-bromophenyl)-9H-fluorene-2,7-diamine
SMILESNc1ccc2c(c1)C(c1ccc(Br)cc1)c1cc(N)ccc1-2
InChIInChI=1S/C19H15BrN2/c20-12-3-1-11(2-4-12)19-17-9-13(21)5-7-15(17)16-8-6-14(22)10-18(16)19/h1-10,19H,21-22H2
InChIKeyGFXWHWIKDDGZLM-UHFFFAOYSA-N
MW351.25 g/mol
LogP4.77
Rot. Bonds1

About 9-(4-bromophenyl)-9H-fluorene-2,7-diamine

9-(4-bromophenyl)-9H-fluorene-2,7-diamine (PubChem CID 162651875) has the molecular formula C19H15BrN2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 9-(4-bromophenyl)-9H-fluorene-2,7-diamine.

Molecular Properties

Compound Name9-(4-bromophenyl)-9H-fluorene-2,7-diamine
PubChem CID162651875
Molecular FormulaC19H15BrN2
Molecular Weight351.25 g/mol
Exact Mass350.04
IUPAC Name9-(4-bromophenyl)-9H-fluorene-2,7-diamine
SMILESNc1ccc2c(c1)C(c1ccc(Br)cc1)c1cc(N)ccc1-2
InChIInChI=1S/C19H15BrN2/c20-12-3-1-11(2-4-12)19-17-9-13(21)5-7-15(17)16-8-6-14(22)10-18(16)19/h1-10,19H,21-22H2
InChIKeyGFXWHWIKDDGZLM-UHFFFAOYSA-N
XLogP4.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 54.77
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 9-(4-bromophenyl)-9H-fluorene-2,7-diamine?
The IUPAC name of 9-(4-bromophenyl)-9H-fluorene-2,7-diamine (CID 162651875) is 9-(4-bromophenyl)-9H-fluorene-2,7-diamine.
What is the SMILES notation for 9-(4-bromophenyl)-9H-fluorene-2,7-diamine?
The canonical SMILES for 9-(4-bromophenyl)-9H-fluorene-2,7-diamine is Nc1ccc2c(c1)C(c1ccc(Br)cc1)c1cc(N)ccc1-2.
What is the InChIKey of 9-(4-bromophenyl)-9H-fluorene-2,7-diamine?
The InChIKey is GFXWHWIKDDGZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2/c20-12-3-1-11(2-4-12)19-17-9-13(21)5-7-15(17)16-8-6-14(22)10-18(16)19/h1-10,19H,21-22H2.
What are the key properties of 9-(4-bromophenyl)-9H-fluorene-2,7-diamine?
9-(4-bromophenyl)-9H-fluorene-2,7-diamine has a molecular weight of 351.25 g/mol, XLogP of 4.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-9H-fluorene-2,7-diamine is sourced from PubChem (CID 162651875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).