3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole

C26H19N3 — CID 163617789

IUPAC3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole
SMILESCc1ccc(-n2ncc3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C26H19N3/c1-18-11-13-20(14-12-18)29-25-16-15-22-21-9-5-6-10-24(21)28(19-7-3-2-4-8-19)26(22)23(25)17-27-29/h2-17H,1H3
InChIKeyHLLOALRNQDWNQR-UHFFFAOYSA-N
MW373.46 g/mol
LogP6.43
Rot. Bonds2

About 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole

3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole (PubChem CID 163617789) has the molecular formula C26H19N3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole
PubChem CID163617789
Molecular FormulaC26H19N3
Molecular Weight373.46 g/mol
Exact Mass373.16
IUPAC Name3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole
SMILESCc1ccc(-n2ncc3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C26H19N3/c1-18-11-13-20(14-12-18)29-25-16-15-22-21-9-5-6-10-24(21)28(19-7-3-2-4-8-19)26(22)23(25)17-27-29/h2-17H,1H3
InChIKeyHLLOALRNQDWNQR-UHFFFAOYSA-N
XLogP6.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[2-(10-phenylpyrazolo[4,5-a]carbazol-3-yl)carbazol-9-yl]phenyl]phenyl]aniline
CID 129303875
10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-3-phenylpyrazolo[4,5-a]carbazole
CID 90231427
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole
CID 90231417
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-2-yl]-10-phenylpyrazolo[4,5-a]carbazole
CID 129303871
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-10-phenylpyrazolo[4,5-a]carbazole
CID 129303351
3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole
CID 144781048
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
15-[4-(4-methylphenyl)sulfanylphenyl]-11,18-diphenyl-11,15,18-triazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 171844861
12-(4-methylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 121287125

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole?
The IUPAC name of 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole (CID 163617789) is 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole.
What is the SMILES notation for 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole?
The canonical SMILES for 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole is Cc1ccc(-n2ncc3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole?
The InChIKey is HLLOALRNQDWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3/c1-18-11-13-20(14-12-18)29-25-16-15-22-21-9-5-6-10-24(21)28(19-7-3-2-4-8-19)26(22)23(25)17-27-29/h2-17H,1H3.
What are the key properties of 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole?
3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole has a molecular weight of 373.46 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole is sourced from PubChem (CID 163617789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).