benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene

C199H172N16O3S3 — CID 159062490

IUPACbenzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene
SMILESC1=CCC=C1.C1=CCC=C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnccn1
InChIInChI=1S/2C10H8.2C9H7N.5C9H8.2C8H6N2.4C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C6H6.2C5H5N.2C5H6.C4H4N2.C4H4O.C4H4S/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;5*1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-2-4-8-7(3-1)5-9-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-7-6(3-1)5-9-8-7;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-2-4-5-3-1/h2*1-8H;2*1-7H;1-2,4-7H,3H2;4*1-6H,7H2;2*1-6H;3*1-4,6H,5H2;1-5H,6H2;2*1-6H;2*1-5H;1-6H;2*1-5H;2*1-4H,5H2;1-4H;2*1-4H
InChIKeyJYQJRZUNWDZVEU-UHFFFAOYSA-N
MW2931.87 g/mol
LogP48.84
Rot. Bonds

About benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene

benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene (PubChem CID 159062490) has the molecular formula C199H172N16O3S3 and a molecular weight of 2931.87 g/mol. Its IUPAC name is benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene.

Molecular Properties

Compound Namebenzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene
PubChem CID159062490
Molecular FormulaC199H172N16O3S3
Molecular Weight2931.87 g/mol
Exact Mass2929.30
IUPAC Namebenzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene
SMILESC1=CCC=C1.C1=CCC=C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnccn1
InChIInChI=1S/2C10H8.2C9H7N.5C9H8.2C8H6N2.4C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C6H6.2C5H5N.2C5H6.C4H4N2.C4H4O.C4H4S/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;5*1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-2-4-8-7(3-1)5-9-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-7-6(3-1)5-9-8-7;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-2-4-5-3-1/h2*1-8H;2*1-7H;1-2,4-7H,3H2;4*1-6H,7H2;2*1-6H;3*1-4,6H,5H2;1-5H,6H2;2*1-6H;2*1-5H;1-6H;2*1-5H;2*1-4H,5H2;1-4H;2*1-4H
InChIKeyJYQJRZUNWDZVEU-UHFFFAOYSA-N
XLogP48.84
TPSA243.54 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.87
LogP ≤ 548.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene?
The IUPAC name of benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene (CID 159062490) is benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene.
What is the SMILES notation for benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene?
The canonical SMILES for benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene is C1=CCC=C1.C1=CCC=C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnccn1.
What is the InChIKey of benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene?
The InChIKey is JYQJRZUNWDZVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8.2C9H7N.5C9H8.2C8H6N2.4C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C6H6.2C5H5N.2C5H6.C4H4N2.C4H4O.C4H4S/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;5*1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-2-4-8-7(3-1)5-9-6-10-8;4*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-7-6(3-1)5-9-8-7;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-2-4-5-3-1/h2*1-8H;2*1-7H;1-2,4-7H,3H2;4*1-6H,7H2;2*1-6H;3*1-4,6H,5H2;1-5H,6H2;2*1-6H;2*1-5H;1-6H;2*1-5H;2*1-4H,5H2;1-4H;2*1-4H.
What are the key properties of benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene?
benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene has a molecular weight of 2931.87 g/mol, XLogP of 48.84, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;tetrakis(1H-indene);2H-indene;2H-indole;tris(3H-indole);naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene is sourced from PubChem (CID 159062490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).