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

C219H146N8O2S — CID 159432787

IUPACacridine;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
SMILESN#Cc1c2ccccc2cc2ccccc12.O=C1c2ccccc2C(=O)c2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc3ccccc3cc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C20H12.C18H12N2.2C18H12.2C16H10.C15H9N.C14H8O2.C14H10.C13H9N.C13H10.C12H8N2.C12H8S.C10H8N2.C10H8/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;15-13-9-5-1-2-6-10(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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-6-10-8-4-3-7-9(10)5-1/h2*1-12H;2*1-12H;2*1-10H;1-9H;1-8H;1-10H;1-9H;1-8H,9H2;1-8H;1-8H;1-8H;1-8H
InChIKeyLRERYCJSOBHHPU-UHFFFAOYSA-N
MW2953.70 g/mol
LogP58.34
Rot. Bonds2

About 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

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 (PubChem CID 159432787) has the molecular formula C219H146N8O2S and a molecular weight of 2953.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameacridine;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
PubChem CID159432787
Molecular FormulaC219H146N8O2S
Molecular Weight2953.70 g/mol
Exact Mass2951.13
IUPAC Nameacridine;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
SMILESN#Cc1c2ccccc2cc2ccccc12.O=C1c2ccccc2C(=O)c2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc3ccccc3cc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C20H12.C18H12N2.2C18H12.2C16H10.C15H9N.C14H8O2.C14H10.C13H9N.C13H10.C12H8N2.C12H8S.C10H8N2.C10H8/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;15-13-9-5-1-2-6-10(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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-6-10-8-4-3-7-9(10)5-1/h2*1-12H;2*1-12H;2*1-10H;1-9H;1-8H;1-10H;1-9H;1-8H,9H2;1-8H;1-8H;1-8H;1-8H
InChIKeyLRERYCJSOBHHPU-UHFFFAOYSA-N
XLogP58.34
TPSA148.16 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002953.70
LogP ≤ 558.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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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
2-Dibenzothiophen-4-yl-8-[7-(1,10-phenanthrolin-3-yl)-9,9-diphenylfluoren-2-yl]-1,10-phenanthroline
CID 90050149
2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 138500557
2-[(2E)-3-oxo-2-[[5-[4-(N-quinolin-3-ylanilino)naphthalen-1-yl]thiophen-2-yl]methylidene]inden-1-ylidene]propanedinitrile
CID 138637340
(2Z)-2-isocyano-2-[(2E)-3-oxo-2-[[5-[4-(N-quinolin-3-ylanilino)naphthalen-1-yl]thiophen-2-yl]methylidene]inden-1-ylidene]acetonitrile
CID 141667731
3-[3-[3-(3-Dibenzothiophen-4-ylphenyl)-5-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;2-[3-[9,9-diethyl-7-(3-triphenylen-2-ylphenyl)fluoren-2-yl]phenyl]triphenylene;3-[3-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(6,11-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 157500407
anthracene-9,10-dione;dibenzothiophene;9H-fluorene;quinoline
CID 157953389
4a,9a-Dihydroanthracene-9,10-dione;acridine;anthracene;naphthalene;phenanthrene;1,10-phenanthroline;phenazine;phenothiazin-5-ium;thianthrene;thioxanthylium
CID 158012055
3-[3-(3-Dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[9,9-dimethyl-7-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)fluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 158509894
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
(Z)-2-isocyano-3-[4-(16-phenyl-16-azahexacyclo[15.7.1.02,15.04,13.05,10.021,25]pentacosa-1(24),2(15),3,5,7,9,11,13,17(25),18,20,22-dodecaen-20-yl)phenyl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)naphthalen-2-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-3-pyridinyl]prop-2-enenitrile;(5E)-5-[[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]methylidene]cyclopenta[b]thiophene-4,6-dione;6-[[5-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-2-pyridinyl]methylidene]cyclopenta[b]pyrazine-5,7-dione
CID 159251789
6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
CID 159600996

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1c2ccccc2cc2ccccc12.O=C1c2ccccc2C(=O)c2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2ccccc2c1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1ccc2nc3ccccc3cc2c1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 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?
The InChIKey is LRERYCJSOBHHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C18H12N2.2C18H12.2C16H10.C15H9N.C14H8O2.C14H10.C13H9N.C13H10.C12H8N2.C12H8S.C10H8N2.C10H8/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14;16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15;15-13-9-5-1-2-6-10(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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-2-6-10-8-4-3-7-9(10)5-1/h2*1-12H;2*1-12H;2*1-10H;1-9H;1-8H;1-10H;1-9H;1-8H,9H2;1-8H;1-8H;1-8H;1-8H.
What are the key properties of 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?
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 has a molecular weight of 2953.70 g/mol, XLogP of 58.34, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159432787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).