3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C140H92N12O2S2 — CID 161273274

About 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 161273274) has the molecular formula C140H92N12O2S2 and a molecular weight of 2038.49 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
• PubChem CID: 161273274
• Molecular Formula: C140H92N12O2S2
• Molecular Weight: 2038.49 g/mol
• Exact Mass: 2036.69
• IUPAC Name: 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
• SMILES: CC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c21.CC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c21.CC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c21.CC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c21
• InChI: InChI=1S/2C35H23N3O.2C35H23N3S/c1-35(2)28-17-29-20(18-36-19-37-29)15-26(28)24-12-13-25-22-7-3-5-9-30(22)38(34(25)33(24)35)21-11-14-32-27(16-21)23-8-4-6-10-31(23)39-32;1-35(2)28-17-29-20(18-36-19-37-29)15-27(28)25-13-14-26-22-7-3-5-9-30(22)38(34(26)33(25)35)21-11-12-24-23-8-4-6-10-31(23)39-32(24)16-21;1-35(2)27-17-28-20(18-36-19-37-28)16-26(27)23-14-15-24-21-8-3-5-11-29(21)38(33(24)32(23)35)30-12-7-10-25-22-9-4-6-13-31(22)39-34(25)30;1-35(2)28-17-29-20(18-36-19-37-29)15-27(28)25-13-14-26-22-7-3-5-9-30(22)38(34(26)33(25)35)21-11-12-24-23-8-4-6-10-31(23)39-32(24)16-21/h4*3-19H,1-2H3
• InChIKey: VECJEGFUFKUVPV-UHFFFAOYSA-N
• XLogP: 36.67
• TPSA: 149.12 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2038.49
LogP ≤ 5	36.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

The IUPAC name of 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 161273274) is 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

What is the SMILES notation for 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

The canonical SMILES for 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is CC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4ccccc45)c3c21.CC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c21.CC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c21.CC1(C)c2cc3ncncc3cc2-c2ccc3c4ccccc4n(-c4cccc5c4sc4ccccc45)c3c21.

What is the InChIKey of 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

The InChIKey is VECJEGFUFKUVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H23N3O.2C35H23N3S/c1-35(2)28-17-29-20(18-36-19-37-29)15-26(28)24-12-13-25-22-7-3-5-9-30(22)38(34(25)33(24)35)21-11-14-32-27(16-21)23-8-4-6-10-31(23)39-32;1-35(2)28-17-29-20(18-36-19-37-29)15-27(28)25-13-14-26-22-7-3-5-9-30(22)38(34(26)33(25)35)21-11-12-24-23-8-4-6-10-31(23)39-32(24)16-21;1-35(2)27-17-28-20(18-36-19-37-28)16-26(27)23-14-15-24-21-8-3-5-11-29(21)38(33(24)32(23)35)30-12-7-10-25-22-9-4-6-13-31(22)39-34(25)30;1-35(2)28-17-29-20(18-36-19-37-29)15-27(28)25-13-14-26-22-7-3-5-9-30(22)38(34(26)33(25)35)21-11-12-24-23-8-4-6-10-31(23)39-32(24)16-21/h4*3-19H,1-2H3.

What are the key properties of 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 2038.49 g/mol, XLogP of 36.67, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzofuran-2-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzofuran-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-3-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;3-dibenzothiophen-4-yl-24,24-dimethyl-3,18,20-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 161273274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).