acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene

C140H150N20O4S6 — CID 158023813

IUPACacridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene
SMILESC.C.C.C.C.C.C.C1=CCC=C1.C1=CCC=C1.C1=CN=CC1.C1=CN=CC1.C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.c1cc2sccc2s1.c1ccc2nc3ccccc3cc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnccn1.c1cnccn1.c1cncnc1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/C13H9N.C9H8.C8H6N2.2C8H7N.C8H6S.C7H5NO.C6H4S2.2C5H5N.2C5H6.4C4H4N2.2C4H5N.2C4H4O.2C4H4S.C3H3NO.C3H3NS.7CH4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;6*1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;/h1-9H;1-6H,7H2;1-6H;2*1-4,6H,5H2;1-6H;1-5H;1-4H;2*1-5H;2*1-4H,5H2;4*1-4H;2*1,3-4H,2H2;4*1-4H;2*1-3H;7*1H4
InChIKeyFGJHRIMPQVWYMC-UHFFFAOYSA-N
MW2369.28 g/mol
LogP40.21
Rot. Bonds

About acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene

acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene (PubChem CID 158023813) has the molecular formula C140H150N20O4S6 and a molecular weight of 2369.28 g/mol. Its IUPAC name is acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene.

Molecular Properties

Compound Nameacridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene
PubChem CID158023813
Molecular FormulaC140H150N20O4S6
Molecular Weight2369.28 g/mol
Exact Mass2367.05
IUPAC Nameacridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene
SMILESC.C.C.C.C.C.C.C1=CCC=C1.C1=CCC=C1.C1=CN=CC1.C1=CN=CC1.C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.c1cc2sccc2s1.c1ccc2nc3ccccc3cc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnccn1.c1cnccn1.c1cncnc1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/C13H9N.C9H8.C8H6N2.2C8H7N.C8H6S.C7H5NO.C6H4S2.2C5H5N.2C5H6.4C4H4N2.2C4H5N.2C4H4O.2C4H4S.C3H3NO.C3H3NS.7CH4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;6*1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;/h1-9H;1-6H,7H2;1-6H;2*1-4,6H,5H2;1-6H;1-5H;1-4H;2*1-5H;2*1-4H,5H2;4*1-4H;2*1,3-4H,2H2;4*1-4H;2*1-3H;7*1H4
InChIKeyFGJHRIMPQVWYMC-UHFFFAOYSA-N
XLogP40.21
TPSA308.24 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002369.28
LogP ≤ 540.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene 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;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene?
The IUPAC name of acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene (CID 158023813) is acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene.
What is the SMILES notation for acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene?
The canonical SMILES for acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene is C.C.C.C.C.C.C.C1=CCC=C1.C1=CCC=C1.C1=CN=CC1.C1=CN=CC1.C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.c1cc2sccc2s1.c1ccc2nc3ccccc3cc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnccn1.c1cnccn1.c1cncnc1.c1cncnc1.c1cocn1.c1cscn1.
What is the InChIKey of acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene?
The InChIKey is FGJHRIMPQVWYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C9H8.C8H6N2.2C8H7N.C8H6S.C7H5NO.C6H4S2.2C5H5N.2C5H6.4C4H4N2.2C4H5N.2C4H4O.2C4H4S.C3H3NO.C3H3NS.7CH4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;2*1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;6*1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;/h1-9H;1-6H,7H2;1-6H;2*1-4,6H,5H2;1-6H;1-5H;1-4H;2*1-5H;2*1-4H,5H2;4*1-4H;2*1,3-4H,2H2;4*1-4H;2*1-3H;7*1H4.
What are the key properties of acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene?
acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene has a molecular weight of 2369.28 g/mol, XLogP of 40.21, 0 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;1-benzothiophene;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indene;bis(3H-indole);methane;1,3-oxazole;pyrazine;bis(pyridine);bis(pyrimidine);bis(3H-pyrrole);quinoxaline;1,3-thiazole;thieno[3,2-b]thiophene;thiophene is sourced from PubChem (CID 158023813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).