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

C26H18N4 — CID 170111224

IUPAC9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n[nH]2)cc1
InChIInChI=1S/C26H18N4/c1-2-9-18(10-3-1)25-27-26(29-28-25)19-11-8-12-20(17-19)30-23-15-6-4-13-21(23)22-14-5-7-16-24(22)30/h1-17H,(H,27,28,29)
InChIKeyPTHZCARAJNKJTH-UHFFFAOYSA-N
MW386.46 g/mol
LogP6.24
Rot. Bonds3

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

9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole (PubChem CID 170111224) has the molecular formula C26H18N4 and a molecular weight of 386.46 g/mol. Its IUPAC name is 9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole
PubChem CID170111224
Molecular FormulaC26H18N4
Molecular Weight386.46 g/mol
Exact Mass386.15
IUPAC Name9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n[nH]2)cc1
InChIInChI=1S/C26H18N4/c1-2-9-18(10-3-1)25-27-26(29-28-25)19-11-8-12-20(17-19)30-23-15-6-4-13-21(23)22-14-5-7-16-24(22)30/h1-17H,(H,27,28,29)
InChIKeyPTHZCARAJNKJTH-UHFFFAOYSA-N
XLogP6.24
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 122465672
9-[3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901387
9-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 153208818
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164988819
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[4-[4-(3-carbazol-9-ylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 165051393
9-[3-[2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 102416966
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389

Frequently Asked Questions

What is the IUPAC name of 9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole (CID 170111224) is 9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n[nH]2)cc1.
What is the InChIKey of 9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole?
The InChIKey is PTHZCARAJNKJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4/c1-2-9-18(10-3-1)25-27-26(29-28-25)19-11-8-12-20(17-19)30-23-15-6-4-13-21(23)22-14-5-7-16-24(22)30/h1-17H,(H,27,28,29).
What are the key properties of 9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole?
9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole has a molecular weight of 386.46 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 170111224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).