7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C126H88N8O2S2 — CID 162120697

About 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 162120697) has the molecular formula C126H88N8O2S2 and a molecular weight of 1810.28 g/mol. Its IUPAC name is 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 162120697
• Molecular Formula: C126H88N8O2S2
• Molecular Weight: 1810.28 g/mol
• Exact Mass: 1808.65
• IUPAC Name: 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: Cn1c2ccccc2c2c3c(ccc21)oc1ccccc13.Cn1c2ccccc2c2c3c(ccc21)sc1ccccc13.Cn1c2ccccc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21.Cn1c2ccccc2c2c3sc4ccccc4c3ccc21.Cn1c2ccccc2c2cc3c(cc21)oc1ccccc13.Cn1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/2C25H18N2.2C19H13NO.2C19H13NS/c1-26-22-13-7-5-11-18(22)20-15-21-19-12-6-8-14-23(19)27(25(21)16-24(20)26)17-9-3-2-4-10-17;1-26-20-13-7-5-11-18(20)24-22(26)15-16-23-25(24)19-12-6-8-14-21(19)27(23)17-9-3-2-4-10-17;1-20-16-8-4-2-6-12(16)14-10-15-13-7-3-5-9-18(13)21-19(15)11-17(14)20;1-20-14-8-4-2-6-12(14)18-15(20)10-11-17-19(18)13-7-3-5-9-16(13)21-17;1-20-15-8-4-2-7-14(15)18-16(20)11-10-13-12-6-3-5-9-17(12)21-19(13)18;1-20-14-8-4-2-6-12(14)18-15(20)10-11-17-19(18)13-7-3-5-9-16(13)21-17/h2*2-16H,1H3;4*2-11H,1H3
• InChIKey: ZHJDRHNZHPKSEO-UHFFFAOYSA-N
• XLogP: 34.72
• TPSA: 65.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1810.28
LogP ≤ 5	34.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 162120697) is 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is Cn1c2ccccc2c2c3c(ccc21)oc1ccccc13.Cn1c2ccccc2c2c3c(ccc21)sc1ccccc13.Cn1c2ccccc2c2c3c4ccccc4n(-c4ccccc4)c3ccc21.Cn1c2ccccc2c2c3sc4ccccc4c3ccc21.Cn1c2ccccc2c2cc3c(cc21)oc1ccccc13.Cn1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is ZHJDRHNZHPKSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18N2.2C19H13NO.2C19H13NS/c1-26-22-13-7-5-11-18(22)20-15-21-19-12-6-8-14-23(19)27(25(21)16-24(20)26)17-9-3-2-4-10-17;1-26-20-13-7-5-11-18(20)24-22(26)15-16-23-25(24)19-12-6-8-14-21(19)27(23)17-9-3-2-4-10-17;1-20-16-8-4-2-6-12(16)14-10-15-13-7-3-5-9-18(13)21-19(15)11-17(14)20;1-20-14-8-4-2-6-12(14)18-15(20)10-11-17-19(18)13-7-3-5-9-16(13)21-17;1-20-15-8-4-2-7-14(15)18-16(20)11-10-13-12-6-3-5-9-17(12)21-19(13)18;1-20-14-8-4-2-6-12(14)18-15(20)10-11-17-19(18)13-7-3-5-9-16(13)21-17/h2*2-16H,1H3;4*2-11H,1H3.

What are the key properties of 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1810.28 g/mol, XLogP of 34.72, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-[1]benzofuro[2,3-b]carbazole;5-methyl-[1]benzothiolo[3,2-c]carbazole;14-methyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-methyl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7-methyl-5-phenylindolo[2,3-b]carbazole;14-methyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 162120697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).