10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine

C204H141N9O5Si — CID 158495307

About 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine

10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine (PubChem CID 158495307) has the molecular formula C204H141N9O5Si and a molecular weight of 2826.52 g/mol. Its IUPAC name is 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

• Compound Name: 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine
• PubChem CID: 158495307
• Molecular Formula: C204H141N9O5Si
• Molecular Weight: 2826.52 g/mol
• Exact Mass: 2824.08
• IUPAC Name: 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine
• SMILES: CC(C)c1cc2ccc(N3c4ccccc4Oc4cc5c(cc43)C(C)(C)c3ccccc3-5)c3c(C(C)C)cc4ccc(N5c6ccccc6Oc6ccccc65)c1c4c23.CC[Si]1(CC)c2ccccc2N(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc7c8cc9c%10ccccc%10c%10ccccc%10c9cc8n(-c8ccccc8)c7cc65)cc4c4ccccc4c3c2)c2ccccc21.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(-c4cccnc4)cc(-n4c5ccccc5oc5cc6c(cc54)oc4cc5c7cccc8cccc(c9cccc(c46)c95)c87)c4ccc5c(-c6cccnc6)ccc2c5c34)cc1
• InChI: InChI=1S/C76H42N4O3.C73H55N3Si.C55H44N2O2/c1-2-17-46(18-3-1)79(47-27-32-67-58(35-47)49-19-4-6-25-66(49)81-67)63-37-59-57(45-16-12-34-78-42-45)36-64(55-31-29-53-48(44-15-11-33-77-41-44)28-30-54(63)75(53)76(55)59)80-62-24-5-7-26-68(62)82-70-39-61-69(40-65(70)80)83-71-38-60-52-21-9-14-43-13-8-20-50(72(43)52)51-22-10-23-56(73(51)60)74(61)71;1-5-77(6-2)71-34-20-18-32-66(71)76(67-33-19-21-35-72(67)77)48-37-39-56-55-38-36-47(40-57(55)53-28-14-15-29-54(53)58(56)41-48)75-65-31-17-16-30-63(65)73(3,4)64-43-62-61-42-59-51-26-12-10-24-49(51)50-25-11-13-27-52(50)60(59)44-68(61)74(69(62)45-70(64)75)46-22-8-7-9-23-46;1-31(2)36-27-34-24-26-45(57-43-19-11-14-22-49(43)59-50-29-38-35-15-7-8-16-39(35)55(5,6)40(38)30-46(50)57)54-37(32(3)4)28-33-23-25-44(53(36)51(33)52(34)54)56-41-17-9-12-20-47(41)58-48-21-13-10-18-42(48)56/h1-42H;7-45H,5-6H2,1-4H3;7-32H,1-6H3
• InChIKey: HJFBFFBIOCAYDR-UHFFFAOYSA-N
• XLogP: 56.77
• TPSA: 109.72 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2826.52
LogP ≤ 5	56.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine?

The IUPAC name of 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine (CID 158495307) is 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine.

What is the SMILES notation for 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine?

The canonical SMILES for 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine is CC(C)c1cc2ccc(N3c4ccccc4Oc4cc5c(cc43)C(C)(C)c3ccccc3-5)c3c(C(C)C)cc4ccc(N5c6ccccc6Oc6ccccc65)c1c4c23.CC[Si]1(CC)c2ccccc2N(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc7c8cc9c%10ccccc%10c%10ccccc%10c9cc8n(-c8ccccc8)c7cc65)cc4c4ccccc4c3c2)c2ccccc21.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c(-c4cccnc4)cc(-n4c5ccccc5oc5cc6c(cc54)oc4cc5c7cccc8cccc(c9cccc(c46)c95)c87)c4ccc5c(-c6cccnc6)ccc2c5c34)cc1.

What is the InChIKey of 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine?

The InChIKey is HJFBFFBIOCAYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H42N4O3.C73H55N3Si.C55H44N2O2/c1-2-17-46(18-3-1)79(47-27-32-67-58(35-47)49-19-4-6-25-66(49)81-67)63-37-59-57(45-16-12-34-78-42-45)36-64(55-31-29-53-48(44-15-11-33-77-41-44)28-30-54(63)75(53)76(55)59)80-62-24-5-7-26-68(62)82-70-39-61-69(40-65(70)80)83-71-38-60-52-21-9-14-43-13-8-20-50(72(43)52)51-22-10-23-56(73(51)60)74(61)71;1-5-77(6-2)71-34-20-18-32-66(71)76(67-33-19-21-35-72(67)77)48-37-39-56-55-38-36-47(40-57(55)53-28-14-15-29-54(53)58(56)41-48)75-65-31-17-16-30-63(65)73(3,4)64-43-62-61-42-59-51-26-12-10-24-49(51)50-25-11-13-27-52(50)60(59)44-68(61)74(69(62)45-70(64)75)46-22-8-7-9-23-46;1-31(2)36-27-34-24-26-45(57-43-19-11-14-22-49(43)59-50-29-38-35-15-7-8-16-39(35)55(5,6)40(38)30-46(50)57)54-37(32(3)4)28-33-23-25-44(53(36)51(33)52(34)54)56-41-17-9-12-20-47(41)58-48-21-13-10-18-42(48)56/h1-42H;7-45H,5-6H2,1-4H3;7-32H,1-6H3.

What are the key properties of 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine?

10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine has a molecular weight of 2826.52 g/mol, XLogP of 56.77, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-14-[6-phenoxazin-10-yl-5,10-di(propan-2-yl)pyren-1-yl]-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;5-[7-(22,22-dimethyl-33-phenyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaen-29-yl)triphenylen-2-yl]-10,10-diethylbenzo[b][1,4]benzazasiline;N-[8-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-1,6-dipyridin-3-ylpyren-4-yl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 158495307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).