benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine)

C230H323N17O2S3 — CID 157192796

About benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine)

benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine) (PubChem CID 157192796) has the molecular formula C230H323N17O2S3 and a molecular weight of 3454.43 g/mol. Its IUPAC name is benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine).

Molecular Properties

• Compound Name: benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine)
• PubChem CID: 157192796
• Molecular Formula: C230H323N17O2S3
• Molecular Weight: 3454.43 g/mol
• Exact Mass: 3451.49
• IUPAC Name: benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2ncccc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1cnc2sccc2c1.c1cnc2sccc2c1
• InChI: InChI=1S/C10H8.C9H7N.2C9H8.10C8H7N.2C8H6O.C8H6S.2C7H6N2.2C7H5NS.C6H6.22C2H6.11CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;4*1-2-7-4-5-9-6-8(7)3-1;5*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-8-5-9-7(6)3-1;1-2-6-7(3-1)9-5-4-8-6;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-6-5-3-1;22*1-2;;;;;;;;;;;/h1-8H;1-7H;2*1-6H,7H2;2*1-2,4-6H,3H2;2*1-4,6H,5H2;2*1,3-6H,2H2;2*1-2,4-6H,3H2;2*1-4,6H,5H2;3*1-6H;2*1-2,4-5H,3H2;2*1-5H;1-6H;22*1-2H3;11*1H4
• InChIKey: APWZORUORWJNEQ-UHFFFAOYSA-N
• XLogP: 72.39
• TPSA: 244.35 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3454.43
LogP ≤ 5	72.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine)?

The IUPAC name of benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine) (CID 157192796) is benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine).

What is the SMILES notation for benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine)?

The canonical SMILES for benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine) is C.C.C.C.C.C.C.C.C.C.C.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccncc2C1.C1=Cc2cnccc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2ncccc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccccc1.c1cnc2sccc2c1.c1cnc2sccc2c1.

What is the InChIKey of benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine)?

The InChIKey is APWZORUORWJNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H7N.2C9H8.10C8H7N.2C8H6O.C8H6S.2C7H6N2.2C7H5NS.C6H6.22C2H6.11CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;4*1-2-7-4-5-9-6-8(7)3-1;5*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-8-5-9-7(6)3-1;1-2-6-7(3-1)9-5-4-8-6;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-6-5-3-1;22*1-2;;;;;;;;;;;/h1-8H;1-7H;2*1-6H,7H2;2*1-2,4-6H,3H2;2*1-4,6H,5H2;2*1,3-6H,2H2;2*1-2,4-6H,3H2;2*1-4,6H,5H2;3*1-6H;2*1-2,4-5H,3H2;2*1-5H;1-6H;22*1-2H3;11*1H4.

What are the key properties of benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine)?

benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine) has a molecular weight of 3454.43 g/mol, XLogP of 72.39, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;bis(1-benzofuran);1-benzothiophene;7H-cyclopenta[b]pyrazine;bis(5H-cyclopenta[b]pyridine);bis(7H-cyclopenta[b]pyridine);bis(5H-cyclopenta[c]pyridine);bis(7H-cyclopenta[c]pyridine);7H-cyclopenta[d]pyrimidine;ethane;bis(1H-indene);bis(3H-indole);methane;naphthalene;quinoline;bis(thieno[2,3-b]pyridine) is sourced from PubChem (CID 157192796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).