16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole

C164H92N2O5S5 — CID 159889458

About 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole

16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole (PubChem CID 159889458) has the molecular formula C164H92N2O5S5 and a molecular weight of 2330.88 g/mol. Its IUPAC name is 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole.

Molecular Properties

• Compound Name: 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole
• PubChem CID: 159889458
• Molecular Formula: C164H92N2O5S5
• Molecular Weight: 2330.88 g/mol
• Exact Mass: 2328.56
• IUPAC Name: 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cc5cc6oc7ccccc7c6cc5c5cc6sc7ccccc7c6cc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5oc6ccccc6c5cc4c4cc5sc6ccccc6c5cc34)cc2)cc1.c1ccc2c(c1)oc1cc3cc(-c4cccc5c4sc4ccccc45)c4cc5c(cc4c3cc12)sc1ccccc15.c1ccc2c(c1)oc1ccc(-c3cc4cc5oc6ccccc6c5cc4c4cc5sc6ccccc6c5cc34)cc12
• InChI: InChI=1S/C44H25NOS.C44H27NOS.C38H20O2S.C38H20OS2/c1-2-10-28(11-3-1)45-39-15-7-4-12-29(39)36-20-26(18-19-40(36)45)32-21-27-22-42-37(30-13-5-8-16-41(30)46-42)23-33(27)35-25-44-38(24-34(32)35)31-14-6-9-17-43(31)47-44;1-3-11-30(12-4-1)45(31-13-5-2-6-14-31)32-21-19-28(20-22-32)35-23-29-24-42-39(33-15-7-9-17-41(33)46-42)25-36(29)38-27-44-40(26-37(35)38)34-16-8-10-18-43(34)47-44;1-4-10-33-23(7-1)30-15-21(13-14-35(30)39-33)26-16-22-17-36-31(24-8-2-5-11-34(24)40-36)18-27(22)29-20-38-32(19-28(26)29)25-9-3-6-12-37(25)41-38;1-4-13-33-22(8-1)31-18-27-21(17-34(31)39-33)16-28(26-12-7-11-25-23-9-2-6-15-36(23)41-38(25)26)29-19-32-24-10-3-5-14-35(24)40-37(32)20-30(27)29/h1-25H;1-27H;2*1-20H
• InChIKey: NUODDIRUCCQXPE-UHFFFAOYSA-N
• XLogP: 50.54
• TPSA: 73.87 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2330.88
LogP ≤ 5	50.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole?

The IUPAC name of 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole (CID 159889458) is 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole.

What is the SMILES notation for 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole?

The canonical SMILES for 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc5cc6oc7ccccc7c6cc5c5cc6sc7ccccc7c6cc45)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4cc5oc6ccccc6c5cc4c4cc5sc6ccccc6c5cc34)cc2)cc1.c1ccc2c(c1)oc1cc3cc(-c4cccc5c4sc4ccccc45)c4cc5c(cc4c3cc12)sc1ccccc15.c1ccc2c(c1)oc1ccc(-c3cc4cc5oc6ccccc6c5cc4c4cc5sc6ccccc6c5cc34)cc12.

What is the InChIKey of 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole?

The InChIKey is NUODDIRUCCQXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NOS.C44H27NOS.C38H20O2S.C38H20OS2/c1-2-10-28(11-3-1)45-39-15-7-4-12-29(39)36-20-26(18-19-40(36)45)32-21-27-22-42-37(30-13-5-8-16-41(30)46-42)23-33(27)35-25-44-38(24-34(32)35)31-14-6-9-17-43(31)47-44;1-3-11-30(12-4-1)45(31-13-5-2-6-14-31)32-21-19-28(20-22-32)35-23-29-24-42-39(33-15-7-9-17-41(33)46-42)25-36(29)38-27-44-40(26-37(35)38)34-16-8-10-18-43(34)47-44;1-4-10-33-23(7-1)30-15-21(13-14-35(30)39-33)26-16-22-17-36-31(24-8-2-5-11-34(24)40-36)18-27(22)29-20-38-32(19-28(26)29)25-9-3-6-12-37(25)41-38;1-4-13-33-22(8-1)31-18-27-21(17-34(31)39-33)16-28(26-12-7-11-25-23-9-2-6-15-36(23)41-38(25)26)29-19-32-24-10-3-5-14-35(24)40-37(32)20-30(27)29/h1-25H;1-27H;2*1-20H.

What are the key properties of 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole?

16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole has a molecular weight of 2330.88 g/mol, XLogP of 50.54, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 16-dibenzofuran-2-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;16-dibenzothiophen-4-yl-11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaene;4-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-N,N-diphenylaniline;3-(11-oxa-26-thiaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.020,25]octacosa-1,3,5,7,9,12,14,16,18,20,22,24,27-tridecaen-16-yl)-9-phenylcarbazole is sourced from PubChem (CID 159889458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).