12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole

C153H88N2O4S3 — CID 157132765

About 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole

12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole (PubChem CID 157132765) has the molecular formula C153H88N2O4S3 and a molecular weight of 2114.60 g/mol. Its IUPAC name is 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole.

Molecular Properties

• Compound Name: 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole
• PubChem CID: 157132765
• Molecular Formula: C153H88N2O4S3
• Molecular Weight: 2114.60 g/mol
• Exact Mass: 2112.59
• IUPAC Name: 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cc6cc7c(cc6c6ccccc56)sc5ccccc57)ccc43)c2)cc1.c1ccc2c(c1)ccc1c3cc4oc5ccccc5c4cc3cc(-c3ccc4c(c3)oc3ccccc34)c21.c1ccc2c(c1)sc1ccc(-c3cc4cc5sc6ccccc6c5cc4c4ccccc34)cc12.c1cncc(-c2cc3cc4c(cc3c3ccc5cc6oc7ccccc7c6cc5c23)oc2ccccc24)c1
• InChI: InChI=1S/C50H31NS.C36H20O2.C35H19NO2.C32H18S2/c1-3-13-32(14-4-1)35-25-36(33-15-5-2-6-16-33)27-38(26-35)51-47-21-11-9-19-41(47)45-28-34(23-24-48(45)51)43-29-37-30-46-42-20-10-12-22-49(42)52-50(46)31-44(37)40-18-8-7-17-39(40)43;1-2-8-24-21(7-1)13-16-28-29-20-35-31(26-10-4-6-12-33(26)38-35)18-23(29)17-30(36(24)28)22-14-15-27-25-9-3-5-11-32(25)37-34(27)19-22;1-3-9-31-23(7-1)29-15-22-14-27(21-6-5-13-36-19-21)35-25(26(22)18-34(29)38-31)12-11-20-16-33-30(17-28(20)35)24-8-2-4-10-32(24)37-33;1-2-8-22-21(7-1)25(19-13-14-31-27(15-19)23-9-3-5-11-29(23)33-31)16-20-17-32-28(18-26(20)22)24-10-4-6-12-30(24)34-32/h1-31H;1-20H;1-19H;1-18H
• InChIKey: AJGPPRCTCXKAMH-UHFFFAOYSA-N
• XLogP: 45.47
• TPSA: 70.38 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2114.60
LogP ≤ 5	45.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole?

The IUPAC name of 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole (CID 157132765) is 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole.

What is the SMILES notation for 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole?

The canonical SMILES for 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cc6cc7c(cc6c6ccccc56)sc5ccccc57)ccc43)c2)cc1.c1ccc2c(c1)ccc1c3cc4oc5ccccc5c4cc3cc(-c3ccc4c(c3)oc3ccccc34)c21.c1ccc2c(c1)sc1ccc(-c3cc4cc5sc6ccccc6c5cc4c4ccccc34)cc12.c1cncc(-c2cc3cc4c(cc3c3ccc5cc6oc7ccccc7c6cc5c23)oc2ccccc24)c1.

What is the InChIKey of 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole?

The InChIKey is AJGPPRCTCXKAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NS.C36H20O2.C35H19NO2.C32H18S2/c1-3-13-32(14-4-1)35-25-36(33-15-5-2-6-16-33)27-38(26-35)51-47-21-11-9-19-41(47)45-28-34(23-24-48(45)51)43-29-37-30-46-42-20-10-12-22-49(42)52-50(46)31-44(37)40-18-8-7-17-39(40)43;1-2-8-24-21(7-1)13-16-28-29-20-35-31(26-10-4-6-12-33(26)38-35)18-23(29)17-30(36(24)28)22-14-15-27-25-9-3-5-11-32(25)37-34(27)19-22;1-3-9-31-23(7-1)29-15-22-14-27(21-6-5-13-36-19-21)35-25(26(22)18-34(29)38-31)12-11-20-16-33-30(17-28(20)35)24-8-2-4-10-32(24)37-33;1-2-8-22-21(7-1)25(19-13-14-31-27(15-19)23-9-3-5-11-29(23)33-31)16-20-17-32-28(18-26(20)22)24-10-4-6-12-30(24)34-32/h1-31H;1-20H;1-19H;1-18H.

What are the key properties of 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole?

12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole has a molecular weight of 2114.60 g/mol, XLogP of 45.47, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-dibenzofuran-3-yl-23-oxahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;15-dibenzothiophen-2-yl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(11,21-dioxaoctacyclo[15.15.0.02,14.04,12.05,10.018,30.020,28.022,27]dotriaconta-1(17),2,4(12),5,7,9,13,15,18,20(28),22,24,26,29,31-pentadecaen-32-yl)pyridine;9-(3,5-diphenylphenyl)-3-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-20-yl)carbazole is sourced from PubChem (CID 157132765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).