1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine

C20H16ClN3 — CID 59538485

IUPAC1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine
SMILESCc1ccccc1N(Cl)Nc1nc2ccccc2c2ccccc12
InChIInChI=1S/C20H16ClN3/c1-14-8-2-7-13-19(14)24(21)23-20-17-11-4-3-9-15(17)16-10-5-6-12-18(16)22-20/h2-13H,1H3,(H,22,23)
InChIKeyZBPDNDGJOSRWFB-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.68
Rot. Bonds3

About 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine

1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine (PubChem CID 59538485) has the molecular formula C20H16ClN3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine.

Molecular Properties

Compound Name1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine
PubChem CID59538485
Molecular FormulaC20H16ClN3
Molecular Weight333.82 g/mol
Exact Mass333.10
IUPAC Name1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine
SMILESCc1ccccc1N(Cl)Nc1nc2ccccc2c2ccccc12
InChIInChI=1S/C20H16ClN3/c1-14-8-2-7-13-19(14)24(21)23-20-17-11-4-3-9-15(17)16-10-5-6-12-18(16)22-20/h2-13H,1H3,(H,22,23)
InChIKeyZBPDNDGJOSRWFB-UHFFFAOYSA-N
XLogP5.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine?
The IUPAC name of 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine (CID 59538485) is 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine.
What is the SMILES notation for 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine?
The canonical SMILES for 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine is Cc1ccccc1N(Cl)Nc1nc2ccccc2c2ccccc12.
What is the InChIKey of 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine?
The InChIKey is ZBPDNDGJOSRWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3/c1-14-8-2-7-13-19(14)24(21)23-20-17-11-4-3-9-15(17)16-10-5-6-12-18(16)22-20/h2-13H,1H3,(H,22,23).
What are the key properties of 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine?
1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine has a molecular weight of 333.82 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-methylphenyl)-2-phenanthridin-6-ylhydrazine is sourced from PubChem (CID 59538485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).