acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline

C121H88N8O3S — CID 161274037

IUPACacridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline
SMILESc1cc2ccc3cccc4ccc(c1)c2c34.c1cc2occc2o1.c1ccc2[nH]ccc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C16H10.C14H10.C13H9N.C12H8N2.C10H8.2C9H7N.C8H6N2.C8H7N.C8H6O.C8H6S.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;3*1-2-4-8-7(3-1)5-6-9-8;1-3-7-6-2-4-8-5(1)6/h1-10H;1-10H;1-9H;1-8H;1-8H;2*1-7H;1-6H;1-6,9H;2*1-6H;1-4H
InChIKeyVEEURHFZNPXDOO-UHFFFAOYSA-N
MW1734.15 g/mol
LogP33.22
Rot. Bonds

About acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline

acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline (PubChem CID 161274037) has the molecular formula C121H88N8O3S and a molecular weight of 1734.15 g/mol. Its IUPAC name is acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline.

Molecular Properties

Compound Nameacridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline
PubChem CID161274037
Molecular FormulaC121H88N8O3S
Molecular Weight1734.15 g/mol
Exact Mass1732.67
IUPAC Nameacridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline
SMILESc1cc2ccc3cccc4ccc(c1)c2c34.c1cc2occc2o1.c1ccc2[nH]ccc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2sccc2c1
InChIInChI=1S/C16H10.C14H10.C13H9N.C12H8N2.C10H8.2C9H7N.C8H6N2.C8H7N.C8H6O.C8H6S.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;3*1-2-4-8-7(3-1)5-6-9-8;1-3-7-6-2-4-8-5(1)6/h1-10H;1-10H;1-9H;1-8H;1-8H;2*1-7H;1-6H;1-6,9H;2*1-6H;1-4H
InChIKeyVEEURHFZNPXDOO-UHFFFAOYSA-N
XLogP33.22
TPSA145.44 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001734.15
LogP ≤ 533.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline?
The IUPAC name of acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline (CID 161274037) is acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline.
What is the SMILES notation for acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline?
The canonical SMILES for acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline is c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2occc2o1.c1ccc2[nH]ccc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.
What is the InChIKey of acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline?
The InChIKey is VEEURHFZNPXDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.C14H10.C13H9N.C12H8N2.C10H8.2C9H7N.C8H6N2.C8H7N.C8H6O.C8H6S.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;3*1-2-4-8-7(3-1)5-6-9-8;1-3-7-6-2-4-8-5(1)6/h1-10H;1-10H;1-9H;1-8H;1-8H;2*1-7H;1-6H;1-6,9H;2*1-6H;1-4H.
What are the key properties of acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline?
acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline has a molecular weight of 1734.15 g/mol, XLogP of 33.22, 0 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;anthracene;1-benzofuran;1-benzothiophene;furo[3,2-b]furan;1H-indole;isoquinoline;naphthalene;phenazine;pyrene;quinoline;quinoxaline is sourced from PubChem (CID 161274037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).