fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine

C24H19FN4 — CID 158779092

IUPACfluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine
SMILESCF.Nc1c2ccccc2nc2c1cc(/N=N/c1ccccc1)c1ccccc12
InChIInChI=1S/C23H16N4.CH3F/c24-22-18-12-6-7-13-20(18)25-23-17-11-5-4-10-16(17)21(14-19(22)23)27-26-15-8-2-1-3-9-15;1-2/h1-14H,(H2,24,25);1H3/b27-26+;
InChIKeyIQVPDPPTPCXZGN-JGUILPGDSA-N
MW382.44 g/mol
LogP7.12
Rot. Bonds2

About fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine

fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine (PubChem CID 158779092) has the molecular formula C24H19FN4 and a molecular weight of 382.44 g/mol. Its IUPAC name is fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine.

Molecular Properties

Compound Namefluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine
PubChem CID158779092
Molecular FormulaC24H19FN4
Molecular Weight382.44 g/mol
Exact Mass382.16
IUPAC Namefluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine
SMILESCF.Nc1c2ccccc2nc2c1cc(/N=N/c1ccccc1)c1ccccc12
InChIInChI=1S/C23H16N4.CH3F/c24-22-18-12-6-7-13-20(18)25-23-17-11-5-4-10-16(17)21(14-19(22)23)27-26-15-8-2-1-3-9-15;1-2/h1-14H,(H2,24,25);1H3/b27-26+;
InChIKeyIQVPDPPTPCXZGN-JGUILPGDSA-N
XLogP7.12
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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 fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine?
The IUPAC name of fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine (CID 158779092) is fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine.
What is the SMILES notation for fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine?
The canonical SMILES for fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine is CF.Nc1c2ccccc2nc2c1cc(/N=N/c1ccccc1)c1ccccc12.
What is the InChIKey of fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine?
The InChIKey is IQVPDPPTPCXZGN-JGUILPGDSA-N. The full InChI is InChI=1S/C23H16N4.CH3F/c24-22-18-12-6-7-13-20(18)25-23-17-11-5-4-10-16(17)21(14-19(22)23)27-26-15-8-2-1-3-9-15;1-2/h1-14H,(H2,24,25);1H3/b27-26+;.
What are the key properties of fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine?
fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine has a molecular weight of 382.44 g/mol, XLogP of 7.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;5-phenyldiazenylbenzo[c]acridin-7-amine is sourced from PubChem (CID 158779092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).