anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene

C198H147N17O3S4 — CID 161281506

IUPACanthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene
SMILESC1=CCC=C1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.c1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccccc13.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ocnc21.c1ccc2c(c1)c1ccccc1c1sccc21.c1ccc2c(c1)c1ccccc1c1scnc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C19H13N.C18H12.C16H10S.C15H11N3.C15H9NO.C15H9NS.2C14H10.C10H8.C9H7N.C8H6N2.C8H6O.C8H6S.C5H5N.C5H6.2C4H4N2.C4H4O.C4H4S.C3H3N3/c1-2-6-14-12(5-1)9-13-10-17-15-7-3-4-8-18(15)20-19(17)11-16(13)14;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-10-17-16;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;2*1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15;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;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1/h1-8,10-11,20H,9H2;1-12H;1-10H;1-11H;2*1-9H;2*1-10H;1-8H;1-7H;1-6H;2*1-6H;1-5H;1-4H,5H2;2*1-4H;2*1-4H;1-3H
InChIKeyVFDQANUTCPWABP-UHFFFAOYSA-N
MW2940.74 g/mol
LogP53.65
Rot. Bonds2

About anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene

anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene (PubChem CID 161281506) has the molecular formula C198H147N17O3S4 and a molecular weight of 2940.74 g/mol. Its IUPAC name is anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene.

Molecular Properties

Compound Nameanthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene
PubChem CID161281506
Molecular FormulaC198H147N17O3S4
Molecular Weight2940.74 g/mol
Exact Mass2938.08
IUPAC Nameanthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene
SMILESC1=CCC=C1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.c1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccccc13.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ocnc21.c1ccc2c(c1)c1ccccc1c1sccc21.c1ccc2c(c1)c1ccccc1c1scnc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C19H13N.C18H12.C16H10S.C15H11N3.C15H9NO.C15H9NS.2C14H10.C10H8.C9H7N.C8H6N2.C8H6O.C8H6S.C5H5N.C5H6.2C4H4N2.C4H4O.C4H4S.C3H3N3/c1-2-6-14-12(5-1)9-13-10-17-15-7-3-4-8-18(15)20-19(17)11-16(13)14;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-10-17-16;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;2*1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15;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;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1/h1-8,10-11,20H,9H2;1-12H;1-10H;1-11H;2*1-9H;2*1-10H;1-8H;1-7H;1-6H;2*1-6H;1-5H;1-4H,5H2;2*1-4H;2*1-4H;1-3H
InChIKeyVFDQANUTCPWABP-UHFFFAOYSA-N
XLogP53.65
TPSA261.45 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds2
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002940.74
LogP ≤ 553.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene with MolForge

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Related Compounds

benzene;1H-benzimidazole;1-benzofuran;2-benzofuran;benzo[h]quinoline;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;bis(cyclopenta-1,3-diene);dibenzofuran;dibenzothiophene;9H-fluorene;furan;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;phenanthrene;1,10-phenanthroline;pyrazine;pyridazine;pyridine;9H-pyrido[2,3-b]indole;pyrimidine;quinazoline;quinoline;quinoxaline;thiophene;1,3,5-triazine
CID 162129655
benzene;1-benzofuran;1-benzothiophene;1H-indole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;thiophene
CID 161273330
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;9H-carbazole;dibenzofuran;dibenzothiophene;ethane;furan;1H-imidazole;1H-indole;1,6-naphthyridine;1,3-oxazole;1H-phenanthro[9,10-d]imidazole;propane;pyridine;pyrido[1,2-a]benzimidazole;pyrimidine;1H-pyrrole;quinazoline;quinoline;quinoxaline;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole
CID 159101824
benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;bis(1H-imidazole);1H-indazole;1H-indole;isoquinoline;(2-methylpropane);naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene;bis(1H-1,2,4-triazole)
CID 167675884
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;9H-carbazole;1H-indazole;2H-isoindole;pteridine;7H-purine;quinoline
CID 158497886
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;4H-imidazole;1H-indene;3H-indole;methane;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;[1,3]oxazolo[4,5-b]pyridine;pyrazine;bis(pyridine);bis(pyrimidine);1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyrazine;thieno[3,2-b]thiophene;thiophene
CID 159193094
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;1H-imidazole;bis(1H-indole);1,2-oxazole;1,3-oxazole;phthalazine;pyrazine;1H-pyrazole;bis(pyridine);bis(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;2H-tetrazole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
CID 158352591
anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene
CID 159784300
1-benzofuran;1-benzothiophene;ethyl acetate;furan;methane;heptakis(2-methylpropane);pyridine;1,3-thiazole;thiophene
CID 158362291
1-benzofuran;1-benzothiophene;ethyl acetate;furan;methane;heptakis(2-methylpropane);pyridine;1,3-thiazole;thiophene
CID 159834318
3a,7a-dihydro-1,3-benzothiazole;1-benzofuran;1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;oxepine;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;quinoxaline;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine
CID 162255909
1H-benzimidazole;1-benzothiophene;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);pyrimidine;1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;2H-triazole
CID 159170221

Frequently Asked Questions

What is the IUPAC name of anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene?
The IUPAC name of anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene (CID 161281506) is anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene.
What is the SMILES notation for anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene?
The canonical SMILES for anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene is C1=CCC=C1.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.c1ccc2c(c1)Cc1cc3c(cc1-2)[nH]c1ccccc13.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ocnc21.c1ccc2c(c1)c1ccccc1c1sccc21.c1ccc2c(c1)c1ccccc1c1scnc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1ncncn1.
What is the InChIKey of anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene?
The InChIKey is VFDQANUTCPWABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N.C18H12.C16H10S.C15H11N3.C15H9NO.C15H9NS.2C14H10.C10H8.C9H7N.C8H6N2.C8H6O.C8H6S.C5H5N.C5H6.2C4H4N2.C4H4O.C4H4S.C3H3N3/c1-2-6-14-12(5-1)9-13-10-17-15-7-3-4-8-18(15)20-19(17)11-16(13)14;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-2-7-13-11(5-1)12-6-3-4-8-14(12)16-15(13)9-10-17-16;1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;2*1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15;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;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1/h1-8,10-11,20H,9H2;1-12H;1-10H;1-11H;2*1-9H;2*1-10H;1-8H;1-7H;1-6H;2*1-6H;1-5H;1-4H,5H2;2*1-4H;2*1-4H;1-3H.
What are the key properties of anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene?
anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene has a molecular weight of 2940.74 g/mol, XLogP of 53.65, 2 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;5,11-dihydroindeno[1,2-b]carbazole;2,4-diphenyl-1,3,5-triazine;furan;naphthalene;phenanthrene;phenanthro[9,10-b]thiophene;phenanthro[9,10-d][1,3]oxazole;phenanthro[9,10-d][1,3]thiazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;thiophene;1,3,5-triazine;triphenylene is sourced from PubChem (CID 161281506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).