N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide

C27H20N4O — CID 11144187

IUPACN-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide
SMILESO=C(NCc1cccc2cc3ccccc3nc12)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C27H20N4O/c32-27(19-13-15-24(16-14-19)31-30-23-10-2-1-3-11-23)28-18-22-9-6-8-21-17-20-7-4-5-12-25(20)29-26(21)22/h1-17H,18H2,(H,28,32)/b31-30+
InChIKeyLICKHDGVOZIASL-NVQSTNCTSA-N
MW416.48 g/mol
LogP6.73
Rot. Bonds5

About N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide

N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide (PubChem CID 11144187) has the molecular formula C27H20N4O and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide.

Molecular Properties

Compound NameN-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide
PubChem CID11144187
Molecular FormulaC27H20N4O
Molecular Weight416.48 g/mol
Exact Mass416.16
IUPAC NameN-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide
SMILESO=C(NCc1cccc2cc3ccccc3nc12)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C27H20N4O/c32-27(19-13-15-24(16-14-19)31-30-23-10-2-1-3-11-23)28-18-22-9-6-8-21-17-20-7-4-5-12-25(20)29-26(21)22/h1-17H,18H2,(H,28,32)/b31-30+
InChIKeyLICKHDGVOZIASL-NVQSTNCTSA-N
XLogP6.73
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(acridin-4-ylmethyl)carbamate
CID 154037573
2-(acridine-3-carbonylamino)acetic acid
CID 169198105
2-(acridine-2-carbonylamino)acetic acid
CID 169198326
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328
N-(4-hydroxybutyl)acridine-4-carboxamide
CID 11033729
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
acridine-4-carboxamide
CID 3025721
N-methylacridin-4-amine;N-phenylbenzamide
CID 174981104
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916
2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride
CID 21143217
N-[(2-chlorophenyl)methyl]-3-quinolin-3-ylbenzamide
CID 46389949
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793

Frequently Asked Questions

What is the IUPAC name of N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide?
The IUPAC name of N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide (CID 11144187) is N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide.
What is the SMILES notation for N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide?
The canonical SMILES for N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide is O=C(NCc1cccc2cc3ccccc3nc12)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide?
The InChIKey is LICKHDGVOZIASL-NVQSTNCTSA-N. The full InChI is InChI=1S/C27H20N4O/c32-27(19-13-15-24(16-14-19)31-30-23-10-2-1-3-11-23)28-18-22-9-6-8-21-17-20-7-4-5-12-25(20)29-26(21)22/h1-17H,18H2,(H,28,32)/b31-30+.
What are the key properties of N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide?
N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide has a molecular weight of 416.48 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide is sourced from PubChem (CID 11144187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).