3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole

C26H18ClN — CID 154697373

IUPAC3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole
SMILESC=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(Cl)cc4)ccc32)cc1
InChIInChI=1S/C26H18ClN/c1-2-18-7-14-22(15-8-18)28-25-6-4-3-5-23(25)24-17-20(11-16-26(24)28)19-9-12-21(27)13-10-19/h2-17H,1H2
InChIKeyLBSCASYYGRXSIV-UHFFFAOYSA-N
MW379.89 g/mol
LogP7.75
Rot. Bonds3

About 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole

3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole (PubChem CID 154697373) has the molecular formula C26H18ClN and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole
PubChem CID154697373
Molecular FormulaC26H18ClN
Molecular Weight379.89 g/mol
Exact Mass379.11
IUPAC Name3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole
SMILESC=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(Cl)cc4)ccc32)cc1
InChIInChI=1S/C26H18ClN/c1-2-18-7-14-22(15-8-18)28-25-6-4-3-5-23(25)24-17-20(11-16-26(24)28)19-9-12-21(27)13-10-19/h2-17H,1H2
InChIKeyLBSCASYYGRXSIV-UHFFFAOYSA-N
XLogP7.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole?
The IUPAC name of 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole (CID 154697373) is 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole.
What is the SMILES notation for 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole?
The canonical SMILES for 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole is C=Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(Cl)cc4)ccc32)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole?
The InChIKey is LBSCASYYGRXSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN/c1-2-18-7-14-22(15-8-18)28-25-6-4-3-5-23(25)24-17-20(11-16-26(24)28)19-9-12-21(27)13-10-19/h2-17H,1H2.
What are the key properties of 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole?
3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole has a molecular weight of 379.89 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole is sourced from PubChem (CID 154697373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).