1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene

C170H115N5Si5 — CID 157458323

About 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene

1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene (PubChem CID 157458323) has the molecular formula C170H115N5Si5 and a molecular weight of 2368.25 g/mol. Its IUPAC name is 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene.

Molecular Properties

• Compound Name: 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene
• PubChem CID: 157458323
• Molecular Formula: C170H115N5Si5
• Molecular Weight: 2368.25 g/mol
• Exact Mass: 2365.80
• IUPAC Name: 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene
• SMILES: c1ccc([Si]23c4ccccc4-c4ccc5ccccc5c4N2c2c(ccc4ccccc24)-c2ccccc23)cc1.c1ccc([Si]23c4ccccc4-c4ccccc4N2c2c(ccc4ccccc24)-c2ccccc23)cc1.c1ccc([Si]23c4ccccc4-c4ccccc4N2c2cc4ccccc4cc2-c2ccccc23)cc1.c1ccc([Si]23c4ccccc4-c4ccccc4N2c2ccccc2-c2cc4ccccc4cc23)cc1.c1ccc([Si]23c4ccccc4-c4ccccc4N2c2ccccc2-c2ccccc23)cc1
• InChI: InChI=1S/C38H25NSi.3C34H23NSi.C30H21NSi/c1-2-14-28(15-3-1)40-35-20-10-8-18-31(35)33-24-22-26-12-4-6-16-29(26)37(33)39(40)38-30-17-7-5-13-27(30)23-25-34(38)32-19-9-11-21-36(32)40;1-2-14-26(15-3-1)36-33-21-11-8-18-29(33)27-16-6-9-19-31(27)35(36)32-20-10-7-17-28(32)30-22-24-12-4-5-13-25(24)23-34(30)36;1-2-14-26(15-3-1)36-33-20-10-7-17-28(33)27-16-6-9-19-31(27)35(36)32-23-25-13-5-4-12-24(25)22-30(32)29-18-8-11-21-34(29)36;1-2-13-25(14-3-1)36-32-20-10-7-17-28(32)27-16-6-9-19-31(27)35(36)34-26-15-5-4-12-24(26)22-23-30(34)29-18-8-11-21-33(29)36;1-2-12-22(13-3-1)32-29-20-10-6-16-25(29)23-14-4-8-18-27(23)31(32)28-19-9-5-15-24(28)26-17-7-11-21-30(26)32/h1-25H;3*1-23H;1-21H
• InChIKey: BTPXEYOEXXSQDJ-UHFFFAOYSA-N
• XLogP: 33.03
• TPSA: 16.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2368.25
LogP ≤ 5	33.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene?

The IUPAC name of 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene (CID 157458323) is 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene.

What is the SMILES notation for 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene?

The canonical SMILES for 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene is c1ccc([Si]23c4ccccc4-c4ccc5ccccc5c4N2c2c(ccc4ccccc24)-c2ccccc23)cc1.c1ccc([Si]23c4ccccc4-c4ccccc4N2c2c(ccc4ccccc24)-c2ccccc23)cc1.c1ccc([Si]23c4ccccc4-c4ccccc4N2c2cc4ccccc4cc2-c2ccccc23)cc1.c1ccc([Si]23c4ccccc4-c4ccccc4N2c2ccccc2-c2cc4ccccc4cc23)cc1.c1ccc([Si]23c4ccccc4-c4ccccc4N2c2ccccc2-c2ccccc23)cc1.

What is the InChIKey of 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene?

The InChIKey is BTPXEYOEXXSQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NSi.3C34H23NSi.C30H21NSi/c1-2-14-28(15-3-1)40-35-20-10-8-18-31(35)33-24-22-26-12-4-6-16-29(26)37(33)39(40)38-30-17-7-5-13-27(30)23-25-34(38)32-19-9-11-21-36(32)40;1-2-14-26(15-3-1)36-33-21-11-8-18-29(33)27-16-6-9-19-31(27)35(36)32-20-10-7-17-28(32)30-22-24-12-4-5-13-25(24)23-34(30)36;1-2-14-26(15-3-1)36-33-20-10-7-17-28(33)27-16-6-9-19-31(27)35(36)32-23-25-13-5-4-12-24(25)22-30(32)29-18-8-11-21-34(29)36;1-2-13-25(14-3-1)36-32-20-10-7-17-28(32)27-16-6-9-19-31(27)35(36)34-26-15-5-4-12-24(26)22-23-30(34)29-18-8-11-21-33(29)36;1-2-12-22(13-3-1)32-29-20-10-6-16-25(29)23-14-4-8-18-27(23)31(32)28-19-9-5-15-24(28)26-17-7-11-21-30(26)32/h1-25H;3*1-23H;1-21H.

What are the key properties of 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene?

1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene has a molecular weight of 2368.25 g/mol, XLogP of 33.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-18-aza-1-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-tetradecaene;18-phenyl-1-aza-18-silaheptacyclo[16.12.0.02,11.04,9.012,17.019,24.025,30]triaconta-2,4,6,8,10,12,14,16,19,21,23,25,27,29-tetradecaene;14-phenyl-1-aza-14-silahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;18-phenyl-1-aza-18-silaoctacyclo[16.16.0.02,11.03,8.012,17.019,24.025,34.028,33]tetratriaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(34),26,28,30,32-hexadecaene is sourced from PubChem (CID 157458323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).