9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene

C165H112N12Si — CID 167700874

About 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene

9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene (PubChem CID 167700874) has the molecular formula C165H112N12Si and a molecular weight of 2290.88 g/mol. Its IUPAC name is 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene.

Molecular Properties

• Compound Name: 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
• PubChem CID: 167700874
• Molecular Formula: C165H112N12Si
• Molecular Weight: 2290.88 g/mol
• Exact Mass: 2288.89
• IUPAC Name: 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2c1c1cnccc1c1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2c1c1ncccc1c1c3ccccc3n(-c3ccccc3)c21.c1ccc(-n2c3ccccc3c3c2c2cnccc2c2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c2c2ncccc2c2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4ccncc4c4c(c32)-c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C39H26N2Si.2C33H21N3.2C30H22N2/c1-4-14-27(15-5-1)41-34-22-12-10-20-31(34)36-30-24-25-40-26-33(30)39-37(38(36)41)32-21-11-13-23-35(32)42(39,28-16-6-2-7-17-28)29-18-8-3-9-19-29;1-3-12-22(13-4-1)35-27-19-9-7-16-24(27)29-26-18-11-21-34-31(26)33-30(32(29)35)25-17-8-10-20-28(25)36(33)23-14-5-2-6-15-23;1-3-11-22(12-4-1)35-29-18-10-8-16-26(29)31-32(35)27-21-34-20-19-24(27)30-25-15-7-9-17-28(25)36(33(30)31)23-13-5-2-6-14-23;1-30(2)23-16-8-6-13-20(23)26-27(30)28-22(15-10-18-31-28)25-21-14-7-9-17-24(21)32(29(25)26)19-11-4-3-5-12-19;1-30(2)24-14-8-6-12-21(24)27-28(30)23-18-31-17-16-20(23)26-22-13-7-9-15-25(22)32(29(26)27)19-10-4-3-5-11-19/h1-26H;2*1-21H;2*3-18H,1-2H3
• InChIKey: YJGHZHLEWFZODB-UHFFFAOYSA-N
• XLogP: 38.82
• TPSA: 98.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2290.88
LogP ≤ 5	38.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

The IUPAC name of 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene (CID 167700874) is 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene.

What is the SMILES notation for 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

The canonical SMILES for 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene is CC1(C)c2ccccc2-c2c1c1cnccc1c1c3ccccc3n(-c3ccccc3)c21.CC1(C)c2ccccc2-c2c1c1ncccc1c1c3ccccc3n(-c3ccccc3)c21.c1ccc(-n2c3ccccc3c3c2c2cnccc2c2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c2c2ncccc2c2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3c4ccncc4c4c(c32)-c2ccccc2[Si]4(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

The InChIKey is YJGHZHLEWFZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2Si.2C33H21N3.2C30H22N2/c1-4-14-27(15-5-1)41-34-22-12-10-20-31(34)36-30-24-25-40-26-33(30)39-37(38(36)41)32-21-11-13-23-35(32)42(39,28-16-6-2-7-17-28)29-18-8-3-9-19-29;1-3-12-22(13-4-1)35-27-19-9-7-16-24(27)29-26-18-11-21-34-31(26)33-30(32(29)35)25-17-8-10-20-28(25)36(33)23-14-5-2-6-15-23;1-3-11-22(12-4-1)35-29-18-10-8-16-26(29)31-32(35)27-21-34-20-19-24(27)30-25-15-7-9-17-28(25)36(33(30)31)23-13-5-2-6-14-23;1-30(2)23-16-8-6-13-20(23)26-27(30)28-22(15-10-18-31-28)25-21-14-7-9-17-24(21)32(29(25)26)19-11-4-3-5-12-19;1-30(2)24-14-8-6-12-21(24)27-28(30)23-18-31-17-16-20(23)26-22-13-7-9-15-25(22)32(29(26)27)19-10-4-3-5-11-19/h1-26H;2*1-21H;2*3-18H,1-2H3.

What are the key properties of 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene?

9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene has a molecular weight of 2290.88 g/mol, XLogP of 38.82, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-24-phenyl-12,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,9-dimethyl-24-phenyl-13,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,24-diphenyl-9,12,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene;9,24-diphenyl-9,13,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene;9,9,24-triphenyl-13,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene is sourced from PubChem (CID 167700874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).