(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane

C216H160B4N12O2Si4 — CID 159006781

About (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane

(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane (PubChem CID 159006781) has the molecular formula C216H160B4N12O2Si4 and a molecular weight of 3111.33 g/mol. Its IUPAC name is (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane.

Molecular Properties

• Compound Name: (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane
• PubChem CID: 159006781
• Molecular Formula: C216H160B4N12O2Si4
• Molecular Weight: 3111.33 g/mol
• Exact Mass: 3109.22
• IUPAC Name: (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane
• SMILES: C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)c1ccccc1n4-c1ccccc1.C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4oc5ccccc5c4cc1B3c1ccccc1N2c1ccccc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)cc2N5c2ccccc2)N3c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4N(c4ccccc4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc2c43)oc2ccccc25)cc1
• InChI: InChI=1S/C78H56BN5Si.C54H37BN2OSi.C45H36BN3Si.C39H31BN2OSi/c1-11-31-57(32-12-1)80(58-33-13-2-14-34-58)64-51-70-76-72(53-64)83(62-41-21-6-22-42-62)74-55-69(85(66-45-25-8-26-46-66,67-47-27-9-28-48-67)68-49-29-10-30-50-68)56-75-78(74)79(76)77-71(82(70)61-39-19-5-20-40-61)52-65(54-73(77)84(75)63-43-23-7-24-44-63)81(59-35-15-3-16-36-59)60-37-17-4-18-38-60;1-6-20-38(21-7-1)56-48-32-18-17-31-46(48)55-47-36-45-44-30-16-19-33-52(44)58-53(45)37-49(47)57(39-22-8-2-9-23-39)51-35-43(34-50(56)54(51)55)59(40-24-10-3-11-25-40,41-26-12-4-13-27-41)42-28-14-5-15-29-42;1-50(2,3)34-27-43-45-44(28-34)49(33-21-11-6-12-22-33)42-30-41-36(35-23-13-15-25-39(35)47(41)31-17-7-4-8-18-31)29-38(42)46(45)37-24-14-16-26-40(37)48(43)32-19-9-5-10-20-32;1-44(2,3)28-22-35-39-36(23-28)42(27-16-8-5-9-17-27)34-25-38-30(29-18-10-13-21-37(29)43-38)24-32(34)40(39)31-19-11-12-20-33(31)41(35)26-14-6-4-7-15-26/h1-56H;1-37H;4-30H,1-3H3;4-25H,1-3H3
• InChIKey: JSABRGWIRJWGAU-UHFFFAOYSA-N
• XLogP: 42.54
• TPSA: 66.85 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3111.33
LogP ≤ 5	42.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane?

The IUPAC name of (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane (CID 159006781) is (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane.

What is the SMILES notation for (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane?

The canonical SMILES for (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane is C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)c1ccccc1n4-c1ccccc1.C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc4oc5ccccc5c4cc1B3c1ccccc1N2c1ccccc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5c2B4c2c(cc(N(c4ccccc4)c4ccccc4)cc2N5c2ccccc2)N3c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4cc5c(cc4N(c4ccccc4)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc2c43)oc2ccccc25)cc1.

What is the InChIKey of (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane?

The InChIKey is JSABRGWIRJWGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56BN5Si.C54H37BN2OSi.C45H36BN3Si.C39H31BN2OSi/c1-11-31-57(32-12-1)80(58-33-13-2-14-34-58)64-51-70-76-72(53-64)83(62-41-21-6-22-42-62)74-55-69(85(66-45-25-8-26-46-66,67-47-27-9-28-48-67)68-49-29-10-30-50-68)56-75-78(74)79(76)77-71(82(70)61-39-19-5-20-40-61)52-65(54-73(77)84(75)63-43-23-7-24-44-63)81(59-35-15-3-16-36-59)60-37-17-4-18-38-60;1-6-20-38(21-7-1)56-48-32-18-17-31-46(48)55-47-36-45-44-30-16-19-33-52(44)58-53(45)37-49(47)57(39-22-8-2-9-23-39)51-35-43(34-50(56)54(51)55)59(40-24-10-3-11-25-40,41-26-12-4-13-27-41)42-28-14-5-15-29-42;1-50(2,3)34-27-43-45-44(28-34)49(33-21-11-6-12-22-33)42-30-41-36(35-23-13-15-25-39(35)47(41)31-17-7-4-8-18-31)29-38(42)46(45)37-24-14-16-26-40(37)48(43)32-19-9-5-10-20-32;1-44(2,3)28-22-35-39-36(23-28)42(27-16-8-5-9-17-27)34-25-38-30(29-18-10-13-21-37(29)43-38)24-32(34)40(39)31-19-11-12-20-33(31)41(35)26-14-6-4-7-15-26/h1-56H;1-37H;4-30H,1-3H3;4-25H,1-3H3.

What are the key properties of (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane?

(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane has a molecular weight of 3111.33 g/mol, XLogP of 42.54, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-trimethylsilane;(15,21-diphenyl-11-oxa-15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)-triphenylsilane;5-N,5-N,11-N,11-N,8,14,22-heptakis-phenyl-17-triphenylsilyl-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,11-diamine;trimethyl-(11,15,21-triphenyl-11,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaen-18-yl)silane is sourced from PubChem (CID 159006781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).