9-(4-fluorophenyl)carbazole-3,6-diamine

C18H14FN3 — CID 89271957

IUPAC9-(4-fluorophenyl)carbazole-3,6-diamine
SMILESNc1ccc2c(c1)c1cc(N)ccc1n2-c1ccc(F)cc1
InChIInChI=1S/C18H14FN3/c19-11-1-5-14(6-2-11)22-17-7-3-12(20)9-15(17)16-10-13(21)4-8-18(16)22/h1-10H,20-21H2
InChIKeyVYGSZVWGNGINAR-UHFFFAOYSA-N
MW291.33 g/mol
LogP4.09
Rot. Bonds1

About 9-(4-fluorophenyl)carbazole-3,6-diamine

9-(4-fluorophenyl)carbazole-3,6-diamine (PubChem CID 89271957) has the molecular formula C18H14FN3 and a molecular weight of 291.33 g/mol. Its IUPAC name is 9-(4-fluorophenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-(4-fluorophenyl)carbazole-3,6-diamine
PubChem CID89271957
Molecular FormulaC18H14FN3
Molecular Weight291.33 g/mol
Exact Mass291.12
IUPAC Name9-(4-fluorophenyl)carbazole-3,6-diamine
SMILESNc1ccc2c(c1)c1cc(N)ccc1n2-c1ccc(F)cc1
InChIInChI=1S/C18H14FN3/c19-11-1-5-14(6-2-11)22-17-7-3-12(20)9-15(17)16-10-13(21)4-8-18(16)22/h1-10H,20-21H2
InChIKeyVYGSZVWGNGINAR-UHFFFAOYSA-N
XLogP4.09
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-fluorophenyl)carbazole-3,6-diamine?
The IUPAC name of 9-(4-fluorophenyl)carbazole-3,6-diamine (CID 89271957) is 9-(4-fluorophenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-(4-fluorophenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-(4-fluorophenyl)carbazole-3,6-diamine is Nc1ccc2c(c1)c1cc(N)ccc1n2-c1ccc(F)cc1.
What is the InChIKey of 9-(4-fluorophenyl)carbazole-3,6-diamine?
The InChIKey is VYGSZVWGNGINAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3/c19-11-1-5-14(6-2-11)22-17-7-3-12(20)9-15(17)16-10-13(21)4-8-18(16)22/h1-10H,20-21H2.
What are the key properties of 9-(4-fluorophenyl)carbazole-3,6-diamine?
9-(4-fluorophenyl)carbazole-3,6-diamine has a molecular weight of 291.33 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)carbazole-3,6-diamine is sourced from PubChem (CID 89271957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).