[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C204H150N14O8S5 — CID 162005397

About [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 162005397) has the molecular formula C204H150N14O8S5 and a molecular weight of 3085.87 g/mol. Its IUPAC name is [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 162005397
• Molecular Formula: C204H150N14O8S5
• Molecular Weight: 3085.87 g/mol
• Exact Mass: 3083.04
• IUPAC Name: [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: CC1(C)c2ccccc2Nc2ccccc21.O=S1(=O)c2ccccc2-c2ccccc21.c1cc2c(cn1)-c1cnccc1C2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccncc1-2.c1ccc2c(c1)Cc1ncccc1-2.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)Nc1ccccc1S2.c1ccc2c(c1)Oc1ccccc1O2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ncccc12.c1cnc2oc3ncccc3c2c1.c1cnc2sc3ncccc3c2c1
• InChI: InChI=1S/C15H15N.C14H13N.2C13H10.C12H9NO.C12H9NS.2C12H9N.C12H8O2S.C12H8O2.C12H8O.C12H8S.C11H8N2.C11H7NO.C11H7NS.C10H6N2O.C10H6N2S/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-5-10-9(4-1)8-12-11(10)6-3-7-13-12;1-2-4-11-9(3-1)7-10-5-6-13-8-12(10)11;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-12-6-10-8(1)5-9-2-4-13-7-11(9)10;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1/h3-10,16H,1-2H3;1-8,15H,9-10H2;2*1-8H,9H2;2*1-8,13H;1-7H,8H2;1-6,8H,7H2;1-8H;1-8H;2*1-8H;1-4,6-7H,5H2;2*1-7H;2*1-6H
• InChIKey: YSTOAFUKTBRGGO-UHFFFAOYSA-N
• XLogP: 54.27
• TPSA: 278.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3085.87
LogP ≤ 5	54.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 162005397) is [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CC1(C)c2ccccc2Nc2ccccc21.O=S1(=O)c2ccccc2-c2ccccc21.c1cc2c(cn1)-c1cnccc1C2.c1ccc2c(c1)CCc1ccccc1N2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccncc1-2.c1ccc2c(c1)Cc1ncccc1-2.c1ccc2c(c1)Nc1ccccc1O2.c1ccc2c(c1)Nc1ccccc1S2.c1ccc2c(c1)Oc1ccccc1O2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ncccc12.c1cnc2oc3ncccc3c2c1.c1cnc2sc3ncccc3c2c1.

What is the InChIKey of [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is YSTOAFUKTBRGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.C14H13N.2C13H10.C12H9NO.C12H9NS.2C12H9N.C12H8O2S.C12H8O2.C12H8O.C12H8S.C11H8N2.C11H7NO.C11H7NS.C10H6N2O.C10H6N2S/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-5-10-9(4-1)8-12-11(10)6-3-7-13-12;1-2-4-11-9(3-1)7-10-5-6-13-8-12(10)11;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-12-6-10-8(1)5-9-2-4-13-7-11(9)10;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1/h3-10,16H,1-2H3;1-8,15H,9-10H2;2*1-8H,9H2;2*1-8,13H;1-7H,8H2;1-6,8H,7H2;1-8H;1-8H;2*1-8H;1-4,6-7H,5H2;2*1-7H;2*1-6H.

What are the key properties of [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 3085.87 g/mol, XLogP of 54.27, 0 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzo-p-dioxin;dibenzothiophene;dibenzothiophene 5,5-dioxide;6,11-dihydro-5H-benzo[b][1]benzazepine;9,9-dimethyl-10H-acridine;bis(9H-fluorene);9H-indeno[2,1-b]pyridine;5H-indeno[1,2-c]pyridine;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;10H-phenothiazine;10H-phenoxazine;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 162005397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).