10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

C196H134N6OSSe2Si2 — CID 160509525

About 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (PubChem CID 160509525) has the molecular formula C196H134N6OSSe2Si2 and a molecular weight of 2835.43 g/mol. Its IUPAC name is 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
• PubChem CID: 160509525
• Molecular Formula: C196H134N6OSSe2Si2
• Molecular Weight: 2835.43 g/mol
• Exact Mass: 2834.82
• IUPAC Name: 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
• SMILES: CC1(C)c2ccccc2N(c2ccc3c4ccc(N5c6ccccc6Oc6ccccc65)cc4c4ccccc4c3c2)c2cc3sc4cc5c6ccccc6c6ccccc6c5cc4c3cc21.Cc1cccc(N(c2ccccc2)c2cc3c4ccccc4c(N4c5cc(C)ccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc3c3ccccc23)c1.c1ccc(-c2ccc3c(c2)N(c2ccc4c(ccc5cc(N6c7cc(-c8ccccc8)ccc7[Si](c7ccccc7)(c7ccccc7)c7cc8c(cc76)[se]c6ccccc68)ccc54)c2)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C80H54N2SeSi2.C63H40N2OS.C53H40N2Se/c1-7-23-55(24-8-1)57-41-47-78-72(51-57)81(71-36-20-22-38-77(71)84(78,63-27-11-3-12-28-63)64-29-13-4-14-30-64)61-43-45-67-59(49-61)39-40-60-50-62(44-46-68(60)67)82-73-52-58(56-25-9-2-10-26-56)42-48-79(73)85(65-31-15-5-16-32-65,66-33-17-6-18-34-66)80-53-70-69-35-19-21-37-75(69)83-76(70)54-74(80)82;1-63(2)53-21-9-10-22-55(53)64(58-36-62-52(34-54(58)63)51-33-49-41-17-5-3-15-39(41)40-16-4-6-18-42(40)50(49)35-61(51)67-62)37-27-29-45-46-30-28-38(32-48(46)44-20-8-7-19-43(44)47(45)31-37)65-56-23-11-13-25-59(56)66-60-26-14-12-24-57(60)65;1-33-15-14-18-36(27-33)54(35-16-6-5-7-17-35)47-30-42-38-20-9-11-22-40(38)48(31-43(42)37-19-8-10-21-39(37)47)55-49-28-34(2)25-26-45(49)53(3,4)46-29-44-41-23-12-13-24-51(41)56-52(44)32-50(46)55/h1-54H;3-36H,1-2H3;5-32H,1-4H3
• InChIKey: QSWAYQNTSWOVLS-UHFFFAOYSA-N
• XLogP: 48.38
• TPSA: 28.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2835.43
LogP ≤ 5	48.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?

The IUPAC name of 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (CID 160509525) is 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.

What is the SMILES notation for 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?

The canonical SMILES for 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is CC1(C)c2ccccc2N(c2ccc3c4ccc(N5c6ccccc6Oc6ccccc65)cc4c4ccccc4c3c2)c2cc3sc4cc5c6ccccc6c6ccccc6c5cc4c3cc21.Cc1cccc(N(c2ccccc2)c2cc3c4ccccc4c(N4c5cc(C)ccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc3c3ccccc23)c1.c1ccc(-c2ccc3c(c2)N(c2ccc4c(ccc5cc(N6c7cc(-c8ccccc8)ccc7[Si](c7ccccc7)(c7ccccc7)c7cc8c(cc76)[se]c6ccccc68)ccc54)c2)c2ccccc2[Si]3(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?

The InChIKey is QSWAYQNTSWOVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N2SeSi2.C63H40N2OS.C53H40N2Se/c1-7-23-55(24-8-1)57-41-47-78-72(51-57)81(71-36-20-22-38-77(71)84(78,63-27-11-3-12-28-63)64-29-13-4-14-30-64)61-43-45-67-59(49-61)39-40-60-50-62(44-46-68(60)67)82-73-52-58(56-25-9-2-10-26-56)42-48-79(73)85(65-31-15-5-16-32-65,66-33-17-6-18-34-66)80-53-70-69-35-19-21-37-75(69)83-76(70)54-74(80)82;1-63(2)53-21-9-10-22-55(53)64(58-36-62-52(34-54(58)63)51-33-49-41-17-5-3-15-39(41)40-16-4-6-18-42(40)50(49)35-61(51)67-62)37-27-29-45-46-30-28-38(32-48(46)44-20-8-7-19-43(44)47(45)31-37)65-56-23-11-13-25-59(56)66-60-26-14-12-24-57(60)65;1-33-15-14-18-36(27-33)54(35-16-6-5-7-17-35)47-30-42-38-20-9-11-22-40(38)48(31-43(42)37-19-8-10-21-39(37)47)55-49-28-34(2)25-26-45(49)53(3,4)46-29-44-41-23-12-13-24-51(41)56-52(44)32-50(46)55/h1-54H;3-36H,1-2H3;5-32H,1-4H3.

What are the key properties of 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?

10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene has a molecular weight of 2835.43 g/mol, XLogP of 48.38, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[7-(22,22-dimethyl-33-thia-29-azaoctacyclo[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]phenoxazine;N-(3-methylphenyl)-N-phenyl-12-(17,21,21-trimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl)chrysen-6-amine;17,21,21-triphenyl-14-[7-(3,10,10-triphenylbenzo[b][1,4]benzazasilin-5-yl)phenanthren-2-yl]-10-selena-14-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 160509525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).