9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole

C26H16F2N4 — CID 70809924

IUPAC9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole
SMILESFc1cc(F)cc(-n2c(-c3ccccc3)nnc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C26H16F2N4/c27-18-14-19(28)16-20(15-18)31-25(17-8-2-1-3-9-17)29-30-26(31)32-23-12-6-4-10-21(23)22-11-5-7-13-24(22)32/h1-16H
InChIKeyZNHSROSFIXWTCV-UHFFFAOYSA-N
MW422.44 g/mol
LogP6.31
Rot. Bonds3

About 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole

9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole (PubChem CID 70809924) has the molecular formula C26H16F2N4 and a molecular weight of 422.44 g/mol. Its IUPAC name is 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole
PubChem CID70809924
Molecular FormulaC26H16F2N4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC Name9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole
SMILESFc1cc(F)cc(-n2c(-c3ccccc3)nnc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C26H16F2N4/c27-18-14-19(28)16-20(15-18)31-25(17-8-2-1-3-9-17)29-30-26(31)32-23-12-6-4-10-21(23)22-11-5-7-13-24(22)32/h1-16H
InChIKeyZNHSROSFIXWTCV-UHFFFAOYSA-N
XLogP6.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
20-(4,5-diphenyl-1,2,4-triazol-3-yl)-7-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
CID 90223206
9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 134554853
9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845018
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[4-[3-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845055
9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845044
3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole
CID 63384103
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole?
The IUPAC name of 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole (CID 70809924) is 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole.
What is the SMILES notation for 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole?
The canonical SMILES for 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole is Fc1cc(F)cc(-n2c(-c3ccccc3)nnc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole?
The InChIKey is ZNHSROSFIXWTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2N4/c27-18-14-19(28)16-20(15-18)31-25(17-8-2-1-3-9-17)29-30-26(31)32-23-12-6-4-10-21(23)22-11-5-7-13-24(22)32/h1-16H.
What are the key properties of 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole?
9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole has a molecular weight of 422.44 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole is sourced from PubChem (CID 70809924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).