anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene

C235H161N3O3S3 — CID 162203630

About anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene

anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene (PubChem CID 162203630) has the molecular formula C235H161N3O3S3 and a molecular weight of 3171.09 g/mol. Its IUPAC name is anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene.

Molecular Properties

• Compound Name: anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene
• PubChem CID: 162203630
• Molecular Formula: C235H161N3O3S3
• Molecular Weight: 3171.09 g/mol
• Exact Mass: 3168.17
• IUPAC Name: anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene
• SMILES: c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccc3ccccc3c12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1
• InChI: InChI=1S/C20H12.4C18H12.2C16H10.2C14H10.C12H8O.C12H8S.C10H8.C9H7N.C8H6N2.2C8H6O.2C8H6S/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;1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16;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;1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;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;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*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8/h1-12H;4*1-12H;2*1-10H;2*1-10H;2*1-8H;1-8H;1-7H;1-6H;4*1-6H
• InChIKey: ZRXFJDXSVJZOKW-UHFFFAOYSA-N
• XLogP: 68.39
• TPSA: 78.09 Ų
• H-Bond Acceptors: 9
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3171.09
LogP ≤ 5	68.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'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;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene?

The IUPAC name of anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene (CID 162203630) is anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene.

What is the SMILES notation for anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene?

The canonical SMILES for anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene is c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc2c(c1)-c1cccc3cccc-2c13.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccc3ccccc3c12.c1ccc2c(c1)ccc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cnncc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.

What is the InChIKey of anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene?

The InChIKey is ZRXFJDXSVJZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.4C18H12.2C16H10.2C14H10.C12H8O.C12H8S.C10H8.C9H7N.C8H6N2.2C8H6O.2C8H6S/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;1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16;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;1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;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;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*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8/h1-12H;4*1-12H;2*1-10H;2*1-10H;2*1-8H;1-8H;1-7H;1-6H;4*1-6H.

What are the key properties of anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene?

anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene has a molecular weight of 3171.09 g/mol, XLogP of 68.39, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for anthracene;benzo[c]phenanthrene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;chrysene;dibenzofuran;dibenzothiophene;fluoranthene;naphthalene;perylene;phenanthrene;phthalazine;pyrene;quinoline;tetracene;triphenylene is sourced from PubChem (CID 162203630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).