1-phenylphenanthro[9,10-d]pyrazole

C21H14N2 — CID 15471679

IUPAC1-phenylphenanthro[9,10-d]pyrazole
SMILESc1ccc(-n2ncc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C21H14N2/c1-2-8-15(9-3-1)23-21-19-13-7-6-11-17(19)16-10-4-5-12-18(16)20(21)14-22-23/h1-14H
InChIKeyUCKDEZZBXHAAIP-UHFFFAOYSA-N
MW294.36 g/mol
LogP5.33
Rot. Bonds1

About 1-phenylphenanthro[9,10-d]pyrazole

1-phenylphenanthro[9,10-d]pyrazole (PubChem CID 15471679) has the molecular formula C21H14N2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-phenylphenanthro[9,10-d]pyrazole.

Molecular Properties

Compound Name1-phenylphenanthro[9,10-d]pyrazole
PubChem CID15471679
Molecular FormulaC21H14N2
Molecular Weight294.36 g/mol
Exact Mass294.12
IUPAC Name1-phenylphenanthro[9,10-d]pyrazole
SMILESc1ccc(-n2ncc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C21H14N2/c1-2-8-15(9-3-1)23-21-19-13-7-6-11-17(19)16-10-4-5-12-18(16)20(21)14-22-23/h1-14H
InChIKeyUCKDEZZBXHAAIP-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.36
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
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1-(naphthalen-1-yl)-1H-pyrazole
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US11787780, Example 138
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Frequently Asked Questions

What is the IUPAC name of 1-phenylphenanthro[9,10-d]pyrazole?
The IUPAC name of 1-phenylphenanthro[9,10-d]pyrazole (CID 15471679) is 1-phenylphenanthro[9,10-d]pyrazole.
What is the SMILES notation for 1-phenylphenanthro[9,10-d]pyrazole?
The canonical SMILES for 1-phenylphenanthro[9,10-d]pyrazole is c1ccc(-n2ncc3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 1-phenylphenanthro[9,10-d]pyrazole?
The InChIKey is UCKDEZZBXHAAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2/c1-2-8-15(9-3-1)23-21-19-13-7-6-11-17(19)16-10-4-5-12-18(16)20(21)14-22-23/h1-14H.
What are the key properties of 1-phenylphenanthro[9,10-d]pyrazole?
1-phenylphenanthro[9,10-d]pyrazole has a molecular weight of 294.36 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylphenanthro[9,10-d]pyrazole is sourced from PubChem (CID 15471679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).