7-phenylbenzo[a]acridin-7-ium

C23H16N+ — CID 27162029

IUPAC7-phenylbenzo[a]acridin-7-ium
SMILESc1ccc(-[n+]2c3ccccc3cc3c4ccccc4ccc32)cc1
InChIInChI=1S/C23H16N/c1-2-10-19(11-3-1)24-22-13-7-5-9-18(22)16-21-20-12-6-4-8-17(20)14-15-23(21)24/h1-16H/q+1
InChIKeyMGWRHTFELMZYEY-UHFFFAOYSA-N
MW306.39 g/mol
LogP5.42
Rot. Bonds1

About 7-phenylbenzo[a]acridin-7-ium

7-phenylbenzo[a]acridin-7-ium (PubChem CID 27162029) has the molecular formula C23H16N+ and a molecular weight of 306.39 g/mol. Its IUPAC name is 7-phenylbenzo[a]acridin-7-ium.

Molecular Properties

Compound Name7-phenylbenzo[a]acridin-7-ium
PubChem CID27162029
Molecular FormulaC23H16N+
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name7-phenylbenzo[a]acridin-7-ium
SMILESc1ccc(-[n+]2c3ccccc3cc3c4ccccc4ccc32)cc1
InChIInChI=1S/C23H16N/c1-2-10-19(11-3-1)24-22-13-7-5-9-18(22)16-21-20-12-6-4-8-17(20)14-15-23(21)24/h1-16H/q+1
InChIKeyMGWRHTFELMZYEY-UHFFFAOYSA-N
XLogP5.42
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-phenylbenzo[a]acridin-7-ium with MolForge

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Related Compounds

methyl 11-phenyl-13-thia-11-azoniatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,11,14,16-octaene-14-carboxylate
CID 27003564
5,10-diphenylphenazine-5,10-diium
CID 72766780
naphtho[1,2-b]phenanthrene
CID 5889
4-acridin-10-ium-10-ylphenol
CID 177494094
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
ethane;9-methyl-N,7-diphenylbenzo[a]acridin-7-ium-5-amine
CID 167616265
anthracene;naphthalene;phenanthrene
CID 158591187
benzo[a]anthracene;hydrobromide
CID 159787028

Frequently Asked Questions

What is the IUPAC name of 7-phenylbenzo[a]acridin-7-ium?
The IUPAC name of 7-phenylbenzo[a]acridin-7-ium (CID 27162029) is 7-phenylbenzo[a]acridin-7-ium.
What is the SMILES notation for 7-phenylbenzo[a]acridin-7-ium?
The canonical SMILES for 7-phenylbenzo[a]acridin-7-ium is c1ccc(-[n+]2c3ccccc3cc3c4ccccc4ccc32)cc1.
What is the InChIKey of 7-phenylbenzo[a]acridin-7-ium?
The InChIKey is MGWRHTFELMZYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N/c1-2-10-19(11-3-1)24-22-13-7-5-9-18(22)16-21-20-12-6-4-8-17(20)14-15-23(21)24/h1-16H/q+1.
What are the key properties of 7-phenylbenzo[a]acridin-7-ium?
7-phenylbenzo[a]acridin-7-ium has a molecular weight of 306.39 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylbenzo[a]acridin-7-ium is sourced from PubChem (CID 27162029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).