anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline

C174H276N12O4 — CID 159567692

About anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline

anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline (PubChem CID 159567692) has the molecular formula C174H276N12O4 and a molecular weight of 2600.20 g/mol. Its IUPAC name is anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline.

Molecular Properties

• Compound Name: anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline
• PubChem CID: 159567692
• Molecular Formula: C174H276N12O4
• Molecular Weight: 2600.20 g/mol
• Exact Mass: 2598.18
• IUPAC Name: anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline
• SMILES: C1=CCC=C1.C1=Cc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)OCO2.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ncc2[nH]cnc2n1
• InChI: InChI=1S/C14H10.C10H8.2C9H7N.C9H8.C8H6N2.C8H7N.C8H6O.C7H6N2.C7H6O2.C6H6.C5H4N4.C5H5N.C5H6.C4H4O.30C2H6/c1-2-6-12-10-14-8-4-3-7-13(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;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;2*1-2-4-5-3-1;30*1-2/h1-10H;1-8H;2*1-7H;1-6H,7H2;1-6H;1-6,9H;1-6H;1-5H,(H,8,9);1-4H,5H2;1-6H;1-3H,(H,6,7,8,9);1-5H;1-4H,5H2;1-4H;30*1-2H3
• InChIKey: MHKHWXBVDJFALP-UHFFFAOYSA-N
• XLogP: 59.46
• TPSA: 208.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2600.20
LogP ≤ 5	59.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline?

The IUPAC name of anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline (CID 159567692) is anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline.

What is the SMILES notation for anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline?

The canonical SMILES for anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline is C1=CCC=C1.C1=Cc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)OCO2.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ncc2[nH]cnc2n1.

What is the InChIKey of anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline?

The InChIKey is MHKHWXBVDJFALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C10H8.2C9H7N.C9H8.C8H6N2.C8H7N.C8H6O.C7H6N2.C7H6O2.C6H6.C5H4N4.C5H5N.C5H6.C4H4O.30C2H6/c1-2-6-12-10-14-8-4-3-7-13(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;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;1-2-4-6-5-3-1;2*1-2-4-5-3-1;30*1-2/h1-10H;1-8H;2*1-7H;1-6H,7H2;1-6H;1-6,9H;1-6H;1-5H,(H,8,9);1-4H,5H2;1-6H;1-3H,(H,6,7,8,9);1-5H;1-4H,5H2;1-4H;30*1-2H3.

What are the key properties of anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline?

anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline has a molecular weight of 2600.20 g/mol, XLogP of 59.46, 0 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for anthracene;benzene;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;cyclopenta-1,3-diene;ethane;furan;1H-indene;1H-indole;isoquinoline;naphthalene;7H-purine;pyridine;quinazoline;quinoline is sourced from PubChem (CID 159567692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).