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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Related Compounds

10-[4-(4-isocyanophenyl)phenyl]-9-methyl-9H-acridine
CID 161377659
9-methyl-10-[4-[2,3,5,6-tetrafluoro-4-[4-(9-methyl-9H-acridin-10-yl)phenyl]phenyl]phenyl]-9H-acridine
CID 144909884
(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
10'-(4-isocyanophenyl)-8,8,22,22-tetramethylspiro[1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,9'-acridine]
CID 153311889
10-[3-[9-[3,5-bis(9-methyl-9H-acridin-10-yl)phenyl]fluoren-9-yl]-5-(9-methyl-9H-acridin-10-yl)phenyl]-9-methyl-9H-acridine
CID 58142126
isocyanobenzene;molybdenum
CID 76711828
10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 140731455
10-(3,5-diisocyanophenyl)phenoxazine
CID 159346835
10-[4-(3,5-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 158640756
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-isocyanophenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158328207
1-hydroxy-3-methyl-3H-indol-2-one
CID 14740978
1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one
CID 160578438

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).