5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium

C21H13N2S2Y- — CID 58732058

IUPAC5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium
SMILESCn1c2ccccc2c(=S)c2cc3[n-]c4ccccc4c(=S)c3cc21.[Y]
InChIInChI=1S/C21H14N2S2.Y/c1-23-18-9-5-3-7-13(18)21(25)15-10-17-14(11-19(15)23)20(24)12-6-2-4-8-16(12)22-17;/h2-11H,1H3,(H,22,24);/p-1
InChIKeyTZCYXSCJADXDSO-UHFFFAOYSA-M
MW446.39 g/mol
LogP6.05
Rot. Bonds

About 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium

5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium (PubChem CID 58732058) has the molecular formula C21H13N2S2Y- and a molecular weight of 446.39 g/mol. Its IUPAC name is 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium.

Molecular Properties

Compound Name5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium
PubChem CID58732058
Molecular FormulaC21H13N2S2Y-
Molecular Weight446.39 g/mol
Exact Mass445.96
IUPAC Name5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium
SMILESCn1c2ccccc2c(=S)c2cc3[n-]c4ccccc4c(=S)c3cc21.[Y]
InChIInChI=1S/C21H14N2S2.Y/c1-23-18-9-5-3-7-13(18)21(25)15-10-17-14(11-19(15)23)20(24)12-6-2-4-8-16(12)22-17;/h2-11H,1H3,(H,22,24);/p-1
InChIKeyTZCYXSCJADXDSO-UHFFFAOYSA-M
XLogP6.05
TPSA19.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
5-methylphenanthridine-6-thione
CID 71374474
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
9,31-dimethyl-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-dimethyl-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene
CID 165036844
10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58131761
10-hydroxyacridine-9-thione
CID 10331326
7-methyl-[1]benzoselenolo[2,3-b]carbazole
CID 158696762
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole
CID 12584877
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251

Frequently Asked Questions

What is the IUPAC name of 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium?
The IUPAC name of 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium (CID 58732058) is 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium.
What is the SMILES notation for 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium?
The canonical SMILES for 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium is Cn1c2ccccc2c(=S)c2cc3[n-]c4ccccc4c(=S)c3cc21.[Y].
What is the InChIKey of 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium?
The InChIKey is TZCYXSCJADXDSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H14N2S2.Y/c1-23-18-9-5-3-7-13(18)21(25)15-10-17-14(11-19(15)23)20(24)12-6-2-4-8-16(12)22-17;/h2-11H,1H3,(H,22,24);/p-1.
What are the key properties of 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium?
5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium has a molecular weight of 446.39 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylquinolino[2,3-b]acridin-12-ide-7,14-dithione;yttrium is sourced from PubChem (CID 58732058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).