25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane

C201H131N15Si3 — CID 163973054

About 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane

25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane (PubChem CID 163973054) has the molecular formula C201H131N15Si3 and a molecular weight of 2840.62 g/mol. Its IUPAC name is 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane.

Molecular Properties

• Compound Name: 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane
• PubChem CID: 163973054
• Molecular Formula: C201H131N15Si3
• Molecular Weight: 2840.62 g/mol
• Exact Mass: 2838.00
• IUPAC Name: 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane
• SMILES: N#Cc1ccc(-n2c3ccccc3n3c4ccccc4c4ccc5c6ccccc6n(c6ccccc62)c5c43)cc1.N#Cc1ccc(-n2c3ccccc3n3c4ccccc4c4ccc5c6ccccc6n(c6ccccc62)c5c43)cc1.N#Cc1ccc2c(c1)c1ccc3c4ccccc4n4c5ccccc5n(-c5ccccc5)c5ccccc5n2c1c34.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4n4c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5c5ccc6c7cc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)ccc7n(c7ccccc73)c6c54)cc2)cc1
• InChI: InChI=1S/C90H65N3Si3.3C37H22N4/c1-10-32-67(33-11-1)94(68-34-12-2-13-35-68,69-36-14-3-15-37-69)76-56-54-66(55-57-76)91-85-50-28-30-52-87(85)92-83-62-58-77(95(70-38-16-4-17-39-70,71-40-18-5-19-41-71)72-42-20-6-21-43-72)64-81(83)79-60-61-80-82-65-78(59-63-84(82)93(90(80)89(79)92)88-53-31-29-51-86(88)91)96(73-44-22-7-23-45-73,74-46-24-8-25-47-74)75-48-26-9-27-49-75;2*38-23-24-17-19-25(20-18-24)39-32-13-5-7-15-34(32)40-30-11-3-1-9-26(30)28-21-22-29-27-10-2-4-12-31(27)41(37(29)36(28)40)35-16-8-6-14-33(35)39;38-23-24-18-21-31-29(22-24)28-20-19-27-26-12-4-5-13-30(26)40-34-16-8-6-14-32(34)39(25-10-2-1-3-11-25)33-15-7-9-17-35(33)41(31)37(28)36(27)40/h1-65H;3*1-22H
• InChIKey: SRRSMEIGWLGQED-UHFFFAOYSA-N
• XLogP: 40.99
• TPSA: 126.37 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2840.62
LogP ≤ 5	40.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane?

The IUPAC name of 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane (CID 163973054) is 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane.

What is the SMILES notation for 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane?

The canonical SMILES for 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane is N#Cc1ccc(-n2c3ccccc3n3c4ccccc4c4ccc5c6ccccc6n(c6ccccc62)c5c43)cc1.N#Cc1ccc(-n2c3ccccc3n3c4ccccc4c4ccc5c6ccccc6n(c6ccccc62)c5c43)cc1.N#Cc1ccc2c(c1)c1ccc3c4ccccc4n4c5ccccc5n(-c5ccccc5)c5ccccc5n2c1c34.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4n4c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5c5ccc6c7cc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)ccc7n(c7ccccc73)c6c54)cc2)cc1.

What is the InChIKey of 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane?

The InChIKey is SRRSMEIGWLGQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H65N3Si3.3C37H22N4/c1-10-32-67(33-11-1)94(68-34-12-2-13-35-68,69-36-14-3-15-37-69)76-56-54-66(55-57-76)91-85-50-28-30-52-87(85)92-83-62-58-77(95(70-38-16-4-17-39-70,71-40-18-5-19-41-71)72-42-20-6-21-43-72)64-81(83)79-60-61-80-82-65-78(59-63-84(82)93(90(80)89(79)92)88-53-31-29-51-86(88)91)96(73-44-22-7-23-45-73,74-46-24-8-25-47-74)75-48-26-9-27-49-75;2*38-23-24-17-19-25(20-18-24)39-32-13-5-7-15-34(32)40-30-11-3-1-9-26(30)28-21-22-29-27-10-2-4-12-31(27)41(37(29)36(28)40)35-16-8-6-14-33(35)39;38-23-24-18-21-31-29(22-24)28-20-19-27-26-12-4-5-13-30(26)40-34-16-8-6-14-32(34)39(25-10-2-1-3-11-25)33-15-7-9-17-35(33)41(31)37(28)36(27)40/h1-65H;3*1-22H.

What are the key properties of 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane?

25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane has a molecular weight of 2840.62 g/mol, XLogP of 40.99, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 25-phenyl-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaene-5-carbonitrile;bis(4-(1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2,4,6,8(32),9,11(33),12,14,16,19,21,23,26,28,30-pentadecaen-25-yl)benzonitrile);triphenyl-[14-triphenylsilyl-25-(4-triphenylsilylphenyl)-1,18,25-triazaoctacyclo[16.13.2.02,7.08,32.011,33.012,17.019,24.026,31]tritriaconta-2(7),3,5,8(32),9,11(33),12(17),13,15,19,21,23,26,28,30-pentadecaen-5-yl]silane is sourced from PubChem (CID 163973054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).