1,3-dichloro-9-(4-fluorophenyl)carbazole

C18H10Cl2FN — CID 156704575

IUPAC1,3-dichloro-9-(4-fluorophenyl)carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(Cl)cc(Cl)c32)cc1
InChIInChI=1S/C18H10Cl2FN/c19-11-9-15-14-3-1-2-4-17(14)22(18(15)16(20)10-11)13-7-5-12(21)6-8-13/h1-10H
InChIKeyCLTHASOMNXYKKT-UHFFFAOYSA-N
MW330.19 g/mol
LogP6.23
Rot. Bonds1

About 1,3-dichloro-9-(4-fluorophenyl)carbazole

1,3-dichloro-9-(4-fluorophenyl)carbazole (PubChem CID 156704575) has the molecular formula C18H10Cl2FN and a molecular weight of 330.19 g/mol. Its IUPAC name is 1,3-dichloro-9-(4-fluorophenyl)carbazole.

Molecular Properties

Compound Name1,3-dichloro-9-(4-fluorophenyl)carbazole
PubChem CID156704575
Molecular FormulaC18H10Cl2FN
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name1,3-dichloro-9-(4-fluorophenyl)carbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(Cl)cc(Cl)c32)cc1
InChIInChI=1S/C18H10Cl2FN/c19-11-9-15-14-3-1-2-4-17(14)22(18(15)16(20)10-11)13-7-5-12(21)6-8-13/h1-10H
InChIKeyCLTHASOMNXYKKT-UHFFFAOYSA-N
XLogP6.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.19
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-9-(4-fluorophenyl)carbazole?
The IUPAC name of 1,3-dichloro-9-(4-fluorophenyl)carbazole (CID 156704575) is 1,3-dichloro-9-(4-fluorophenyl)carbazole.
What is the SMILES notation for 1,3-dichloro-9-(4-fluorophenyl)carbazole?
The canonical SMILES for 1,3-dichloro-9-(4-fluorophenyl)carbazole is Fc1ccc(-n2c3ccccc3c3cc(Cl)cc(Cl)c32)cc1.
What is the InChIKey of 1,3-dichloro-9-(4-fluorophenyl)carbazole?
The InChIKey is CLTHASOMNXYKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2FN/c19-11-9-15-14-3-1-2-4-17(14)22(18(15)16(20)10-11)13-7-5-12(21)6-8-13/h1-10H.
What are the key properties of 1,3-dichloro-9-(4-fluorophenyl)carbazole?
1,3-dichloro-9-(4-fluorophenyl)carbazole has a molecular weight of 330.19 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-9-(4-fluorophenyl)carbazole is sourced from PubChem (CID 156704575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).