4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium

C126H88N6O2S4+2 — CID 158012055

IUPAC4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium
SMILESO=C1c2ccccc2C(=O)C2C=CC=CC12.c1ccc2[s+]c3ccccc3cc2c1.c1ccc2[s+]c3ccccc3nc2c1.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H10O2.2C14H10.C13H9N.C13H9S.2C12H8N2.C12H8NS.C12H8S2.C10H8/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-6-10-8-4-3-7-9(10)5-1/h1-10H;2*1-10H;2*1-9H;4*1-8H;1-8H/q;;;;+1;;;+1;;
InChIKeyFEZWRFIVMCHNGH-UHFFFAOYSA-N
MW1846.40 g/mol
LogP34.57
Rot. Bonds

About 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium

4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium (PubChem CID 158012055) has the molecular formula C126H88N6O2S4+2 and a molecular weight of 1846.40 g/mol. Its IUPAC name is 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium.

Molecular Properties

Compound Name4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium
PubChem CID158012055
Molecular FormulaC126H88N6O2S4+2
Molecular Weight1846.40 g/mol
Exact Mass1844.58
IUPAC Name4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium
SMILESO=C1c2ccccc2C(=O)C2C=CC=CC12.c1ccc2[s+]c3ccccc3cc2c1.c1ccc2[s+]c3ccccc3nc2c1.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C14H10O2.2C14H10.C13H9N.C13H9S.2C12H8N2.C12H8NS.C12H8S2.C10H8/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-6-10-8-4-3-7-9(10)5-1/h1-10H;2*1-10H;2*1-9H;4*1-8H;1-8H/q;;;;+1;;;+1;;
InChIKeyFEZWRFIVMCHNGH-UHFFFAOYSA-N
XLogP34.57
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001846.40
LogP ≤ 534.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-Benzothiophen-2-yl)-2-(2-methylquinolin-8-yl)ethanone;1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone;bis(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);1-(3-methylphenyl)-2-quinolin-8-ylethanone;2-(2-methylquinolin-8-yl)-1-(5-methylthiophen-2-yl)ethanone;2-(2-methylquinolin-8-yl)-1-[2-(trifluoromethyl)phenyl]ethanone;2-quinolin-8-ylisoindole-1,3-dione
CID 160066073
10-[4-[5-Methyl-3-[4-(9-oxoacridin-10-yl)phenyl]quinoxalin-2-yl]phenyl]acridin-9-one;10-[4-[3-[4-(9-oxoacridin-10-yl)phenyl]quinoxalin-2-yl]phenyl]acridin-9-one;10-[4-[3-(4-phenothiazin-10-ylphenyl)phenanthro[9,10-b]pyrazin-2-yl]phenyl]phenothiazine
CID 157602511
1,4-Dimethylanthracene-9,10-dione;2,9-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;7,8-dimethylquinoline;2,4,7,9-tetramethyl-1,10-phenanthroline;2,5,6,9-tetramethyl-1,10-phenanthroline
CID 158402626
2,9-Bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;bis(9,9'-spirobi[fluorene]-2-yl)methanone;iridium;bis(2-phenylpyridine);2-phenylpyridine;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 159147918
acridine;anthracene-9-carbonitrile;anthracene-9,10-dione;chrysene;dibenzothiophene;fluoranthene;9H-fluorene;naphthalene;perylene;phenanthrene;1,10-phenanthroline;pyrene;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;triphenylene
CID 159432787
Acridine;anthracene-9-carbonitrile;anthracene-9,10-dione;dibenzothiophene;perylene;1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline
CID 160498607

Frequently Asked Questions

What is the IUPAC name of 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium?
The IUPAC name of 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium (CID 158012055) is 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium.
What is the SMILES notation for 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium?
The canonical SMILES for 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium is O=C1c2ccccc2C(=O)C2C=CC=CC12.c1ccc2[s+]c3ccccc3cc2c1.c1ccc2[s+]c3ccccc3nc2c1.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium?
The InChIKey is FEZWRFIVMCHNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2.2C14H10.C13H9N.C13H9S.2C12H8N2.C12H8NS.C12H8S2.C10H8/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-6-10-8-4-3-7-9(10)5-1/h1-10H;2*1-10H;2*1-9H;4*1-8H;1-8H/q;;;;+1;;;+1;;.
What are the key properties of 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium?
4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium has a molecular weight of 1846.40 g/mol, XLogP of 34.57, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,9a-dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium is sourced from PubChem (CID 158012055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).