1-(4-dibenzofuran-3-ylphenyl)pyrazole

C21H14N2O — CID 140714857

IUPAC1-(4-dibenzofuran-3-ylphenyl)pyrazole
SMILESc1ccc2c(c1)oc1cc(-c3ccc(-n4cccn4)cc3)ccc12
InChIInChI=1S/C21H14N2O/c1-2-5-20-18(4-1)19-11-8-16(14-21(19)24-20)15-6-9-17(10-7-15)23-13-3-12-22-23/h1-14H
InChIKeyREMHEQDPYCKHCS-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.44
Rot. Bonds2

About 1-(4-dibenzofuran-3-ylphenyl)pyrazole

1-(4-dibenzofuran-3-ylphenyl)pyrazole (PubChem CID 140714857) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(4-dibenzofuran-3-ylphenyl)pyrazole.

Molecular Properties

Compound Name1-(4-dibenzofuran-3-ylphenyl)pyrazole
PubChem CID140714857
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name1-(4-dibenzofuran-3-ylphenyl)pyrazole
SMILESc1ccc2c(c1)oc1cc(-c3ccc(-n4cccn4)cc3)ccc12
InChIInChI=1S/C21H14N2O/c1-2-5-20-18(4-1)19-11-8-16(14-21(19)24-20)15-6-9-17(10-7-15)23-13-3-12-22-23/h1-14H
InChIKeyREMHEQDPYCKHCS-UHFFFAOYSA-N
XLogP5.44
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene
CID 163793172
1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
CID 142384034
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole
CID 156627335
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-dibenzofuran-3-yl-9-[4-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631913
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-3-ylphenyl)pyrazole?
The IUPAC name of 1-(4-dibenzofuran-3-ylphenyl)pyrazole (CID 140714857) is 1-(4-dibenzofuran-3-ylphenyl)pyrazole.
What is the SMILES notation for 1-(4-dibenzofuran-3-ylphenyl)pyrazole?
The canonical SMILES for 1-(4-dibenzofuran-3-ylphenyl)pyrazole is c1ccc2c(c1)oc1cc(-c3ccc(-n4cccn4)cc3)ccc12.
What is the InChIKey of 1-(4-dibenzofuran-3-ylphenyl)pyrazole?
The InChIKey is REMHEQDPYCKHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-2-5-20-18(4-1)19-11-8-16(14-21(19)24-20)15-6-9-17(10-7-15)23-13-3-12-22-23/h1-14H.
What are the key properties of 1-(4-dibenzofuran-3-ylphenyl)pyrazole?
1-(4-dibenzofuran-3-ylphenyl)pyrazole has a molecular weight of 310.36 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-3-ylphenyl)pyrazole is sourced from PubChem (CID 140714857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).