3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole

C26H19F2N — CID 145450963

IUPAC3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cc(C(c3ccc(F)cc3)c3ccc(F)cc3)ccc21
InChIInChI=1S/C26H19F2N/c1-29-24-5-3-2-4-22(24)23-16-19(10-15-25(23)29)26(17-6-11-20(27)12-7-17)18-8-13-21(28)14-9-18/h2-16,26H,1H3
InChIKeyUMILWXAFLIIPNY-UHFFFAOYSA-N
MW383.44 g/mol
LogP6.79
Rot. Bonds3

About 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole

3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole (PubChem CID 145450963) has the molecular formula C26H19F2N and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole
PubChem CID145450963
Molecular FormulaC26H19F2N
Molecular Weight383.44 g/mol
Exact Mass383.15
IUPAC Name3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cc(C(c3ccc(F)cc3)c3ccc(F)cc3)ccc21
InChIInChI=1S/C26H19F2N/c1-29-24-5-3-2-4-22(24)23-16-19(10-15-25(23)29)26(17-6-11-20(27)12-7-17)18-8-13-21(28)14-9-18/h2-16,26H,1H3
InChIKeyUMILWXAFLIIPNY-UHFFFAOYSA-N
XLogP6.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole?
The IUPAC name of 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole (CID 145450963) is 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole?
The canonical SMILES for 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole is Cn1c2ccccc2c2cc(C(c3ccc(F)cc3)c3ccc(F)cc3)ccc21.
What is the InChIKey of 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole?
The InChIKey is UMILWXAFLIIPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N/c1-29-24-5-3-2-4-22(24)23-16-19(10-15-25(23)29)26(17-6-11-20(27)12-7-17)18-8-13-21(28)14-9-18/h2-16,26H,1H3.
What are the key properties of 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole?
3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole has a molecular weight of 383.44 g/mol, XLogP of 6.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methyl]-9-methylcarbazole is sourced from PubChem (CID 145450963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).