9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C27H16ClFN4 — CID 171562310

IUPAC9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1Cl
InChIInChI=1S/C27H16ClFN4/c28-21-16-18(14-15-22(21)29)26-30-25(17-8-2-1-3-9-17)31-27(32-26)33-23-12-6-4-10-19(23)20-11-5-7-13-24(20)33/h1-16H
InChIKeyUTUFDRDYDZUVSH-UHFFFAOYSA-N
MW450.90 g/mol
LogP7.10
Rot. Bonds3

About 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 171562310) has the molecular formula C27H16ClFN4 and a molecular weight of 450.90 g/mol. Its IUPAC name is 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID171562310
Molecular FormulaC27H16ClFN4
Molecular Weight450.90 g/mol
Exact Mass450.10
IUPAC Name9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILESFc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1Cl
InChIInChI=1S/C27H16ClFN4/c28-21-16-18(14-15-22(21)29)26-30-25(17-8-2-1-3-9-17)31-27(32-26)33-23-12-6-4-10-19(23)20-11-5-7-13-24(20)33/h1-16H
InChIKeyUTUFDRDYDZUVSH-UHFFFAOYSA-N
XLogP7.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.90
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 171562310) is 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is Fc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1Cl.
What is the InChIKey of 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is UTUFDRDYDZUVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClFN4/c28-21-16-18(14-15-22(21)29)26-30-25(17-8-2-1-3-9-17)31-27(32-26)33-23-12-6-4-10-19(23)20-11-5-7-13-24(20)33/h1-16H.
What are the key properties of 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 450.90 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-chloro-4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 171562310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).