acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline

C127H97N9O4 — CID 159232542

About acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline

acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline (PubChem CID 159232542) has the molecular formula C127H97N9O4 and a molecular weight of 1813.23 g/mol. Its IUPAC name is acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline.

Molecular Properties

• Compound Name: acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline
• PubChem CID: 159232542
• Molecular Formula: C127H97N9O4
• Molecular Weight: 1813.23 g/mol
• Exact Mass: 1811.77
• IUPAC Name: acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline
• SMILES: C1=CC2=CC=C3CC=CC4=C3C2C(=C1)C=C4.C1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1cc2occc2o1.c1ccc2[nH]ccc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1
• InChI: InChI=1S/C16H12.C14H10.C13H9N.C12H8N2.C10H8.2C9H7N.C8H6N2.C8H7N.C8H6O.C7H7N.C7H6O.C6H4O2/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(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;1-2-6-10-8-4-3-7-9(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;1-2-4-8-7(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/h1-5,7-10,15H,6H2;1-10H;1-9H;1-8H;1-8H;2*1-7H;1-6H;1-6,9H;1-6H;1,3-5,8H,2H2;1,3-5H,2H2;1-4H
• InChIKey: KTBXDZPXTGOLMM-UHFFFAOYSA-N
• XLogP: 32.95
• TPSA: 174.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1813.23
LogP ≤ 5	32.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline?

The IUPAC name of acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline (CID 159232542) is acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline.

What is the SMILES notation for acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline?

The canonical SMILES for acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline is C1=CC2=CC=C3CC=CC4=C3C2C(=C1)C=C4.C1=Cc2[nH]ccc2C1.C1=Cc2occc2C1.c1cc2occc2o1.c1ccc2[nH]ccc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.

What is the InChIKey of acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline?

The InChIKey is KTBXDZPXTGOLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12.C14H10.C13H9N.C12H8N2.C10H8.2C9H7N.C8H6N2.C8H7N.C8H6O.C7H7N.C7H6O.C6H4O2/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(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;1-2-6-10-8-4-3-7-9(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;1-2-4-8-7(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/h1-5,7-10,15H,6H2;1-10H;1-9H;1-8H;1-8H;2*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;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline?

acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline has a molecular weight of 1813.23 g/mol, XLogP of 32.95, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for acridine;anthracene;1-benzofuran;1,10c-dihydropyrene;4H-cyclopenta[b]furan;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;quinoline;quinoxaline is sourced from PubChem (CID 159232542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).