4-(1-phenylindazol-3-yl)benzonitrile

C20H13N3 — CID 57379769

IUPAC4-(1-phenylindazol-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2nn(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H13N3/c21-14-15-10-12-16(13-11-15)20-18-8-4-5-9-19(18)23(22-20)17-6-2-1-3-7-17/h1-13H
InChIKeyRBHNSFTYEZQXMB-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.56
Rot. Bonds2

About 4-(1-phenylindazol-3-yl)benzonitrile

4-(1-phenylindazol-3-yl)benzonitrile (PubChem CID 57379769) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(1-phenylindazol-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(1-phenylindazol-3-yl)benzonitrile
PubChem CID57379769
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name4-(1-phenylindazol-3-yl)benzonitrile
SMILESN#Cc1ccc(-c2nn(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H13N3/c21-14-15-10-12-16(13-11-15)20-18-8-4-5-9-19(18)23(22-20)17-6-2-1-3-7-17/h1-13H
InChIKeyRBHNSFTYEZQXMB-UHFFFAOYSA-N
XLogP4.56
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
CID 102441291
2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
CID 139237980
4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
CID 22012959
4-[4-[4-(4-cyanophenoxy)phenyl]-1-oxophthalazin-2-yl]benzoic acid
CID 102372524
methyl 3-(4-cyanophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
CID 135064086
4-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzonitrile
CID 102168714
[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium
CID 59960131
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
4-[5-(bromomethyl)-1-phenylpyrazol-3-yl]benzonitrile
CID 156784166
1-(2,6-dimethylphenyl)-3-phenylindazole
CID 59661510

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylindazol-3-yl)benzonitrile?
The IUPAC name of 4-(1-phenylindazol-3-yl)benzonitrile (CID 57379769) is 4-(1-phenylindazol-3-yl)benzonitrile.
What is the SMILES notation for 4-(1-phenylindazol-3-yl)benzonitrile?
The canonical SMILES for 4-(1-phenylindazol-3-yl)benzonitrile is N#Cc1ccc(-c2nn(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-(1-phenylindazol-3-yl)benzonitrile?
The InChIKey is RBHNSFTYEZQXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c21-14-15-10-12-16(13-11-15)20-18-8-4-5-9-19(18)23(22-20)17-6-2-1-3-7-17/h1-13H.
What are the key properties of 4-(1-phenylindazol-3-yl)benzonitrile?
4-(1-phenylindazol-3-yl)benzonitrile has a molecular weight of 295.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylindazol-3-yl)benzonitrile is sourced from PubChem (CID 57379769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).