1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)

C78H71N13O7 — CID 159541945

About 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)

1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) (PubChem CID 159541945) has the molecular formula C78H71N13O7 and a molecular weight of 1302.51 g/mol. Its IUPAC name is 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene).

Molecular Properties

• Compound Name: 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)
• PubChem CID: 159541945
• Molecular Formula: C78H71N13O7
• Molecular Weight: 1302.51 g/mol
• Exact Mass: 1301.56
• IUPAC Name: 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)
• SMILES: Cc1c2c(cn1C)oc1ccccc12.Cc1nc2oc3ccccc3n2c1C.Cc1nc2oc3ccccc3n2c1C.Cc1oc2c(nc3ccccn32)c1C.Cc1oc2c(nc3ccccn32)c1C.Cc1oc2nc3ccccn3c2c1C.Cc1oc2nc3ccccn3c2c1C
• InChI: InChI=1S/C12H11NO.6C11H10N2O/c1-8-12-9-5-3-4-6-10(9)14-11(12)7-13(8)2;2*1-7-8(2)14-11-10(7)13-6-4-3-5-9(13)12-11;2*1-7-8(2)14-11-10(7)12-9-5-3-4-6-13(9)11;2*1-7-8(2)13-9-5-3-4-6-10(9)14-11(13)12-7/h3-7H,1-2H3;6*3-6H,1-2H3
• InChIKey: MEICPVPYVYXTAN-UHFFFAOYSA-N
• XLogP: 19.42
• TPSA: 200.71 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1302.51
LogP ≤ 5	19.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)?

The IUPAC name of 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) (CID 159541945) is 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene).

What is the SMILES notation for 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)?

The canonical SMILES for 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) is Cc1c2c(cn1C)oc1ccccc12.Cc1nc2oc3ccccc3n2c1C.Cc1nc2oc3ccccc3n2c1C.Cc1oc2c(nc3ccccn32)c1C.Cc1oc2c(nc3ccccn32)c1C.Cc1oc2nc3ccccn3c2c1C.Cc1oc2nc3ccccn3c2c1C.

What is the InChIKey of 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)?

The InChIKey is MEICPVPYVYXTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.6C11H10N2O/c1-8-12-9-5-3-4-6-10(9)14-11(12)7-13(8)2;2*1-7-8(2)14-11-10(7)13-6-4-3-5-9(13)12-11;2*1-7-8(2)14-11-10(7)12-9-5-3-4-6-13(9)11;2*1-7-8(2)13-9-5-3-4-6-10(9)14-11(13)12-7/h3-7H,1-2H3;6*3-6H,1-2H3.

What are the key properties of 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)?

1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) has a molecular weight of 1302.51 g/mol, XLogP of 19.42, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethyl-[1]benzofuro[2,3-c]pyrrole;bis(1,2-dimethylimidazo[2,1-b][1,3]benzoxazole);bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) is sourced from PubChem (CID 159541945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).