2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene

C186H140N4O2S2Si4 — CID 159801925

About 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene

2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene (PubChem CID 159801925) has the molecular formula C186H140N4O2S2Si4 and a molecular weight of 2639.67 g/mol. Its IUPAC name is 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene
• PubChem CID: 159801925
• Molecular Formula: C186H140N4O2S2Si4
• Molecular Weight: 2639.67 g/mol
• Exact Mass: 2636.95
• IUPAC Name: 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccc(-c4ccccc4)cc3C(C)(C)c3c2c1cc1c3sc2ccccc21.CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccccc3C(C)(C)c3c2c1cc1c3sc2ccccc21.C[Si]1(C)c2cc(-c3cccc4ccccc34)ccc2N2c3ccc(-c4cccc5ccccc45)cc3[Si](C)(C)c3c2c1cc1c3oc2ccccc21.c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc4c(oc5ccccc54)c4c2N3c2ccc(-c3ccccc3)cc2[Si]4(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C60H41NOSi2.C48H37NOSi2.C42H33NS.C36H29NS/c1-7-21-42(22-8-1)44-35-37-52-55(39-44)63(46-25-11-3-12-26-46,47-27-13-4-14-28-47)57-41-51-50-33-19-20-34-54(50)62-59(51)60-58(57)61(52)53-38-36-45(43-23-9-2-10-24-43)40-56(53)64(60,48-29-15-5-16-30-48)49-31-17-6-18-32-49;1-51(2)43-27-32(36-20-11-15-30-13-5-7-17-34(30)36)23-25-40(43)49-41-26-24-33(37-21-12-16-31-14-6-8-18-35(31)37)28-44(41)52(3,4)48-46(49)45(51)29-39-38-19-9-10-22-42(38)50-47(39)48;1-41(2)32-23-28(26-13-7-5-8-14-26)19-21-35(32)43-36-22-20-29(27-15-9-6-10-16-27)24-33(36)42(3,4)38-39(43)34(41)25-31-30-17-11-12-18-37(30)44-40(31)38;1-35(2)27-20-23(22-12-6-5-7-13-22)18-19-30(27)37-29-16-10-9-15-26(29)36(3,4)32-33(37)28(35)21-25-24-14-8-11-17-31(24)38-34(25)32/h1-41H;5-29H,1-4H3;5-25H,1-4H3;5-21H,1-4H3
• InChIKey: NJXDGHZVOJSTRM-UHFFFAOYSA-N
• XLogP: 43.35
• TPSA: 39.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2639.67
LogP ≤ 5	43.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene?

The IUPAC name of 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene (CID 159801925) is 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene.

What is the SMILES notation for 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene?

The canonical SMILES for 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene is CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccc(-c4ccccc4)cc3C(C)(C)c3c2c1cc1c3sc2ccccc21.CC1(C)c2cc(-c3ccccc3)ccc2N2c3ccccc3C(C)(C)c3c2c1cc1c3sc2ccccc21.C[Si]1(C)c2cc(-c3cccc4ccccc34)ccc2N2c3ccc(-c4cccc5ccccc45)cc3[Si](C)(C)c3c2c1cc1c3oc2ccccc21.c1ccc(-c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2cc4c(oc5ccccc54)c4c2N3c2ccc(-c3ccccc3)cc2[Si]4(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene?

The InChIKey is NJXDGHZVOJSTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NOSi2.C48H37NOSi2.C42H33NS.C36H29NS/c1-7-21-42(22-8-1)44-35-37-52-55(39-44)63(46-25-11-3-12-26-46,47-27-13-4-14-28-47)57-41-51-50-33-19-20-34-54(50)62-59(51)60-58(57)61(52)53-38-36-45(43-23-9-2-10-24-43)40-56(53)64(60,48-29-15-5-16-30-48)49-31-17-6-18-32-49;1-51(2)43-27-32(36-20-11-15-30-13-5-7-17-34(30)36)23-25-40(43)49-41-26-24-33(37-21-12-16-31-14-6-8-18-35(31)37)28-44(41)52(3,4)48-46(49)45(51)29-39-38-19-9-10-22-42(38)50-47(39)48;1-41(2)32-23-28(26-13-7-5-8-14-26)19-21-35(32)43-36-22-20-29(27-15-9-6-10-16-27)24-33(36)42(3,4)38-39(43)34(41)25-31-30-17-11-12-18-37(30)44-40(31)38;1-35(2)27-20-23(22-12-6-5-7-13-22)18-19-30(27)37-29-16-10-9-15-26(29)36(3,4)32-33(37)28(35)21-25-24-14-8-11-17-31(24)38-34(25)32/h1-41H;5-29H,1-4H3;5-25H,1-4H3;5-21H,1-4H3.

What are the key properties of 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene?

2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene has a molecular weight of 2639.67 g/mol, XLogP of 43.35, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,5,13,16,16-hexakis-phenyl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-dinaphthalen-1-yl-19-oxa-9-aza-2,16-disilaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5,13-diphenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10(15),11,13,17,20,22,24,26-dodecaene;2,2,16,16-tetramethyl-5-phenyl-19-thia-9-azaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3(8),4,6,10,12,14,17,20,22,24,26-dodecaene is sourced from PubChem (CID 159801925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).