anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene

C112H93N7O3S4Se — CID 157443293

About anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene

anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene (PubChem CID 157443293) has the molecular formula C112H93N7O3S4Se and a molecular weight of 1792.25 g/mol. Its IUPAC name is anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene
• PubChem CID: 157443293
• Molecular Formula: C112H93N7O3S4Se
• Molecular Weight: 1792.25 g/mol
• Exact Mass: 1791.54
• IUPAC Name: anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene
• SMILES: C1=Cc2ccccc2C1.c1cc[se]c1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nccnc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cscn1.c1scc2c1OCCO2
• InChI: InChI=1S/2C14H10.C10H8.C9H7N.C9H8.2C8H6N2.C8H6S.C6H6O2S.C6H6.C5H5N.C4H4O.C4H4S.C4H4Se.C3H3NS/c1-3-7-13-11(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;1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-8-6-4-9-3-5(6)7-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1/h2*1-10H;1-8H;1-7H;1-6H,7H2;2*1-6H;1-6H;3-4H,1-2H2;1-6H;1-5H;3*1-4H;1-3H
• InChIKey: BRXUWLZGDGKNLD-UHFFFAOYSA-N
• XLogP: 30.68
• TPSA: 121.83 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.25
LogP ≤ 5	30.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene?

The IUPAC name of anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene (CID 157443293) is anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene.

What is the SMILES notation for anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene?

The canonical SMILES for anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene is C1=Cc2ccccc2C1.c1cc[se]c1.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nccnc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cscn1.c1scc2c1OCCO2.

What is the InChIKey of anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene?

The InChIKey is BRXUWLZGDGKNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10.C10H8.C9H7N.C9H8.2C8H6N2.C8H6S.C6H6O2S.C6H6.C5H5N.C4H4O.C4H4S.C4H4Se.C3H3NS/c1-3-7-13-11(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;1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-8-6-4-9-3-5(6)7-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-2-5-3-4-1/h2*1-10H;1-8H;1-7H;1-6H,7H2;2*1-6H;1-6H;3-4H,1-2H2;1-6H;1-5H;3*1-4H;1-3H.

What are the key properties of anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene?

anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene has a molecular weight of 1792.25 g/mol, XLogP of 30.68, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for anthracene;benzene;2-benzothiophene;2,3-dihydrothieno[3,4-b][1,4]dioxine;furan;1H-indene;naphthalene;phenanthrene;pyridine;quinoline;quinoxaline;selenophene;1,3-thiazole;thiophene is sourced from PubChem (CID 157443293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).