10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine

C27H20N2 — CID 161377659

IUPAC10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine
SMILES[C-]#[N+]c1ccc(-c2ccc(N3c4ccccc4C(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C27H20N2/c1-19-24-7-3-5-9-26(24)29(27-10-6-4-8-25(19)27)23-17-13-21(14-18-23)20-11-15-22(28-2)16-12-20/h3-19H,1H3
InChIKeyYLEVKLIUPWJGQO-UHFFFAOYSA-N
MW372.47 g/mol
LogP7.84
Rot. Bonds2

About 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine

10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine (PubChem CID 161377659) has the molecular formula C27H20N2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine.

Molecular Properties

Compound Name10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine
PubChem CID161377659
Molecular FormulaC27H20N2
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine
SMILES[C-]#[N+]c1ccc(-c2ccc(N3c4ccccc4C(C)c4ccccc43)cc2)cc1
InChIInChI=1S/C27H20N2/c1-19-24-7-3-5-9-26(24)29(27-10-6-4-8-25(19)27)23-17-13-21(14-18-23)20-11-15-22(28-2)16-12-20/h3-19H,1H3
InChIKeyYLEVKLIUPWJGQO-UHFFFAOYSA-N
XLogP7.84
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine?
The IUPAC name of 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine (CID 161377659) is 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine.
What is the SMILES notation for 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine?
The canonical SMILES for 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine is [C-]#[N+]c1ccc(-c2ccc(N3c4ccccc4C(C)c4ccccc43)cc2)cc1.
What is the InChIKey of 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine?
The InChIKey is YLEVKLIUPWJGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2/c1-19-24-7-3-5-9-26(24)29(27-10-6-4-8-25(19)27)23-17-13-21(14-18-23)20-11-15-22(28-2)16-12-20/h3-19H,1H3.
What are the key properties of 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine?
10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine has a molecular weight of 372.47 g/mol, XLogP of 7.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine is sourced from PubChem (CID 161377659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).