[4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene

C181H112N10Si — CID 158912231

About [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene

[4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene (PubChem CID 158912231) has the molecular formula C181H112N10Si and a molecular weight of 2455.04 g/mol. Its IUPAC name is [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene
• PubChem CID: 158912231
• Molecular Formula: C181H112N10Si
• Molecular Weight: 2455.04 g/mol
• Exact Mass: 2452.88
• IUPAC Name: [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene
• SMILES: c1ccc(-n2c(-c3ccc(-c4ccc5c6ccccc6n6c(nc7c8ccccc8c8ccccc8c76)c5c4)cc3)nc3ccccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n3c4nc4c5ccccc5c5ccccc5c43)cc2)cc1.c1ccc2c(c1)cc(-c1ccc3c(c1)c1ccccc1n1c3nc3c4ccccc4c4ccccc4c31)c1ccccc12.c1ccc2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n4c5nc5c6ccccc6c6ccccc6c54)cc3)ccc2c1
• InChI: InChI=1S/C51H34N2Si.C46H28N4.C43H26N2.C41H24N2/c1-4-16-37(17-5-1)54(38-18-6-2-7-19-38,39-20-8-3-9-21-39)40-31-28-35(29-32-40)36-30-33-46-47(34-36)43-24-14-15-27-48(43)53-50-45-26-13-11-23-42(45)41-22-10-12-25-44(41)49(50)52-51(46)53;1-2-12-32(13-3-1)49-42-21-11-9-19-40(42)47-45(49)30-24-22-29(23-25-30)31-26-27-35-36-16-8-10-20-41(36)50-44-38-18-7-5-15-34(38)33-14-4-6-17-37(33)43(44)48-46(50)39(35)28-31;1-2-10-30-25-31(22-21-27(30)9-1)28-17-19-29(20-18-28)32-23-24-38-39(26-32)35-13-7-8-16-40(35)45-42-37-15-6-4-12-34(37)33-11-3-5-14-36(33)41(42)44-43(38)45;1-2-12-27-25(11-1)23-36(31-16-4-3-13-28(27)31)26-21-22-35-37(24-26)32-17-9-10-20-38(32)43-40-34-19-8-6-15-30(34)29-14-5-7-18-33(29)39(40)42-41(35)43/h1-34H;1-28H;1-26H;1-24H
• InChIKey: JGUHIJFZFBMIHQ-UHFFFAOYSA-N
• XLogP: 44.58
• TPSA: 87.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2455.04
LogP ≤ 5	44.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene?

The IUPAC name of [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene (CID 158912231) is [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene.

What is the SMILES notation for [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene?

The canonical SMILES for [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene is c1ccc(-n2c(-c3ccc(-c4ccc5c6ccccc6n6c(nc7c8ccccc8c8ccccc8c76)c5c4)cc3)nc3ccccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n3c4nc4c5ccccc5c5ccccc5c43)cc2)cc1.c1ccc2c(c1)cc(-c1ccc3c(c1)c1ccccc1n1c3nc3c4ccccc4c4ccccc4c31)c1ccccc12.c1ccc2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n4c5nc5c6ccccc6c6ccccc6c54)cc3)ccc2c1.

What is the InChIKey of [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene?

The InChIKey is JGUHIJFZFBMIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2Si.C46H28N4.C43H26N2.C41H24N2/c1-4-16-37(17-5-1)54(38-18-6-2-7-19-38,39-20-8-3-9-21-39)40-31-28-35(29-32-40)36-30-33-46-47(34-36)43-24-14-15-27-48(43)53-50-45-26-13-11-23-42(45)41-22-10-12-25-44(41)49(50)52-51(46)53;1-2-12-32(13-3-1)49-42-21-11-9-19-40(42)47-45(49)30-24-22-29(23-25-30)31-26-27-35-36-16-8-10-20-41(36)50-44-38-18-7-5-15-34(38)33-14-4-6-17-37(33)43(44)48-46(50)39(35)28-31;1-2-10-30-25-31(22-21-27(30)9-1)28-17-19-29(20-18-28)32-23-24-38-39(26-32)35-13-7-8-16-40(35)45-42-37-15-6-4-12-34(37)33-11-3-5-14-36(33)41(42)44-43(38)45;1-2-12-27-25(11-1)23-36(31-16-4-3-13-28(27)31)26-21-22-35-37(24-26)32-17-9-10-20-38(32)43-40-34-19-8-6-15-30(34)29-14-5-7-18-33(29)39(40)42-41(35)43/h1-34H;1-28H;1-26H;1-24H.

What are the key properties of [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene?

[4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene has a molecular weight of 2455.04 g/mol, XLogP of 44.58, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaen-21-yl)phenyl]-triphenylsilane;21-(4-naphthalen-2-ylphenyl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;21-phenanthren-9-yl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene;20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18(23),19,21,24,26,28-tetradecaene is sourced from PubChem (CID 158912231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).