acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline

C78H60N8O4 — CID 159149847

About acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline

acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline (PubChem CID 159149847) has the molecular formula C78H60N8O4 and a molecular weight of 1173.39 g/mol. Its IUPAC name is acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline.

Molecular Properties

• Compound Name: acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline
• PubChem CID: 159149847
• Molecular Formula: C78H60N8O4
• Molecular Weight: 1173.39 g/mol
• Exact Mass: 1172.47
• IUPAC Name: acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline
• SMILES: C1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1cc2occc2o1.c1ccc2[nH]ccc2c1.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1
• InChI: InChI=1S/C13H9N.C12H8N2.C9H7N.C8H6N2.C8H7N.C8H6O.C7H7N.C7H6O.C6H4O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-4-5-8-7(6)3-1;1-3-7-6-2-4-8-5(1)6/h1-9H;1-8H;1-7H;1-6H;1-6,9H;1-6H;1,3-5,8H,2H2;1,3-5H,2H2;1-4H
• InChIKey: KJDGEKZFXHDZTI-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 161.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.39
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline?

The IUPAC name of acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline (CID 159149847) is acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline.

What is the SMILES notation for acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline?

The canonical SMILES for acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline is C1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1cc2occc2o1.c1ccc2[nH]ccc2c1.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.

What is the InChIKey of acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline?

The InChIKey is KJDGEKZFXHDZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C12H8N2.C9H7N.C8H6N2.C8H7N.C8H6O.C7H7N.C7H6O.C6H4O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-6-4-5-8-7(6)3-1;1-3-7-6-2-4-8-5(1)6/h1-9H;1-8H;1-7H;1-6H;1-6,9H;1-6H;1,3-5,8H,2H2;1,3-5H,2H2;1-4H.

What are the key properties of acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline?

acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline has a molecular weight of 1173.39 g/mol, XLogP of 20.09, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for acridine;1-benzofuran;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;phenazine;quinoxaline is sourced from PubChem (CID 159149847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).