12-(4-methylphenyl)benzo[a]acridine

C24H17N — CID 46187960

IUPAC12-(4-methylphenyl)benzo[a]acridine
SMILESCc1ccc(-c2c3ccccc3nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H17N/c1-16-10-12-18(13-11-16)23-20-8-4-5-9-21(20)25-22-15-14-17-6-2-3-7-19(17)24(22)23/h2-15H,1H3
InChIKeyHZTBEXGVPDIYFZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP6.52
Rot. Bonds1

About 12-(4-methylphenyl)benzo[a]acridine

12-(4-methylphenyl)benzo[a]acridine (PubChem CID 46187960) has the molecular formula C24H17N and a molecular weight of 319.41 g/mol. Its IUPAC name is 12-(4-methylphenyl)benzo[a]acridine.

Molecular Properties

Compound Name12-(4-methylphenyl)benzo[a]acridine
PubChem CID46187960
Molecular FormulaC24H17N
Molecular Weight319.41 g/mol
Exact Mass319.14
IUPAC Name12-(4-methylphenyl)benzo[a]acridine
SMILESCc1ccc(-c2c3ccccc3nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C24H17N/c1-16-10-12-18(13-11-16)23-20-8-4-5-9-21(20)25-22-15-14-17-6-2-3-7-19(17)24(22)23/h2-15H,1H3
InChIKeyHZTBEXGVPDIYFZ-UHFFFAOYSA-N
XLogP6.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-iodo-13-(4-methylphenyl)-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 132850539
3,4-bis(4-methylphenyl)quinolin-2-amine
CID 102531411
2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol
CID 135995962
phenanthrene;toluene
CID 158347700
7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine
CID 59183166
1-bromo-2-methoxy-9-phenylacridine
CID 11439907
benzo[a]acridine-12-carboxylic acid
CID 54569893
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-[4-(bromomethyl)phenyl]acridine
CID 10712694
9-(4-ethoxyphenyl)acridine
CID 18966036
12-(4-hydroxyphenyl)-9,9-dimethyl-8,10-dihydrobenzo[a]acridin-11-one
CID 135577930

Frequently Asked Questions

What is the IUPAC name of 12-(4-methylphenyl)benzo[a]acridine?
The IUPAC name of 12-(4-methylphenyl)benzo[a]acridine (CID 46187960) is 12-(4-methylphenyl)benzo[a]acridine.
What is the SMILES notation for 12-(4-methylphenyl)benzo[a]acridine?
The canonical SMILES for 12-(4-methylphenyl)benzo[a]acridine is Cc1ccc(-c2c3ccccc3nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 12-(4-methylphenyl)benzo[a]acridine?
The InChIKey is HZTBEXGVPDIYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N/c1-16-10-12-18(13-11-16)23-20-8-4-5-9-21(20)25-22-15-14-17-6-2-3-7-19(17)24(22)23/h2-15H,1H3.
What are the key properties of 12-(4-methylphenyl)benzo[a]acridine?
12-(4-methylphenyl)benzo[a]acridine has a molecular weight of 319.41 g/mol, XLogP of 6.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methylphenyl)benzo[a]acridine is sourced from PubChem (CID 46187960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).