10-(4-isocyanophenyl)-9-methyl-9H-acridine

C21H16N2 — CID 159125165

IUPAC10-(4-isocyanophenyl)-9-methyl-9H-acridine
SMILES[C-]#[N+]c1ccc(N2c3ccccc3C(C)c3ccccc32)cc1
InChIInChI=1S/C21H16N2/c1-15-18-7-3-5-9-20(18)23(21-10-6-4-8-19(15)21)17-13-11-16(22-2)12-14-17/h3-15H,1H3
InChIKeySEAASLOSJZKCQA-UHFFFAOYSA-N
MW296.37 g/mol
LogP6.17
Rot. Bonds1

About 10-(4-isocyanophenyl)-9-methyl-9H-acridine

10-(4-isocyanophenyl)-9-methyl-9H-acridine (PubChem CID 159125165) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 10-(4-isocyanophenyl)-9-methyl-9H-acridine.

Molecular Properties

Compound Name10-(4-isocyanophenyl)-9-methyl-9H-acridine
PubChem CID159125165
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name10-(4-isocyanophenyl)-9-methyl-9H-acridine
SMILES[C-]#[N+]c1ccc(N2c3ccccc3C(C)c3ccccc32)cc1
InChIInChI=1S/C21H16N2/c1-15-18-7-3-5-9-20(18)23(21-10-6-4-8-19(15)21)17-13-11-16(22-2)12-14-17/h3-15H,1H3
InChIKeySEAASLOSJZKCQA-UHFFFAOYSA-N
XLogP6.17
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-isocyanophenyl)-9-methyl-9H-acridine?
The IUPAC name of 10-(4-isocyanophenyl)-9-methyl-9H-acridine (CID 159125165) is 10-(4-isocyanophenyl)-9-methyl-9H-acridine.
What is the SMILES notation for 10-(4-isocyanophenyl)-9-methyl-9H-acridine?
The canonical SMILES for 10-(4-isocyanophenyl)-9-methyl-9H-acridine is [C-]#[N+]c1ccc(N2c3ccccc3C(C)c3ccccc32)cc1.
What is the InChIKey of 10-(4-isocyanophenyl)-9-methyl-9H-acridine?
The InChIKey is SEAASLOSJZKCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-15-18-7-3-5-9-20(18)23(21-10-6-4-8-19(15)21)17-13-11-16(22-2)12-14-17/h3-15H,1H3.
What are the key properties of 10-(4-isocyanophenyl)-9-methyl-9H-acridine?
10-(4-isocyanophenyl)-9-methyl-9H-acridine has a molecular weight of 296.37 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-isocyanophenyl)-9-methyl-9H-acridine is sourced from PubChem (CID 159125165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).