6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine

C56H51N3Si — CID 167544667

About 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine

6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine (PubChem CID 167544667) has the molecular formula C56H51N3Si and a molecular weight of 796.14 g/mol. Its IUPAC name is 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine.

Molecular Properties

• Compound Name: 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine
• PubChem CID: 167544667
• Molecular Formula: C56H51N3Si
• Molecular Weight: 796.14 g/mol
• Exact Mass: 795.40
• IUPAC Name: 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine
• SMILES: [2H]c1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c-3n3c4c(c5cccc2c53)C(C)(C)c2cc(N(c3ccc([2H])cc3)c3ccc([Si](C)(C)C)cc3)ccc2-4)cc1
• InChI: InChI=1S/C56H51N3Si/c1-36-22-24-39(25-23-36)57(37-16-11-9-12-17-37)41-28-32-44-48(34-41)55(2,3)50-46-20-15-21-47-51-54(59(52(46)47)53(44)50)45-33-29-42(35-49(45)56(51,4)5)58(38-18-13-10-14-19-38)40-26-30-43(31-27-40)60(6,7)8/h9-35H,1-8H3/i9D,10D
• InChIKey: MGYSKJWOBLWOTG-QDRJLNDYSA-N
• XLogP: 14.94
• TPSA: 10.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.14
LogP ≤ 5	14.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine?

The IUPAC name of 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine (CID 167544667) is 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine.

What is the SMILES notation for 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine?

The canonical SMILES for 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine is [2H]c1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2c-3n3c4c(c5cccc2c53)C(C)(C)c2cc(N(c3ccc([2H])cc3)c3ccc([Si](C)(C)C)cc3)ccc2-4)cc1.

What is the InChIKey of 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine?

The InChIKey is MGYSKJWOBLWOTG-QDRJLNDYSA-N. The full InChI is InChI=1S/C56H51N3Si/c1-36-22-24-39(25-23-36)57(37-16-11-9-12-17-37)41-28-32-44-48(34-41)55(2,3)50-46-20-15-21-47-51-54(59(52(46)47)53(44)50)45-33-29-42(35-49(45)56(51,4)5)58(38-18-13-10-14-19-38)40-26-30-43(31-27-40)60(6,7)8/h9-35H,1-8H3/i9D,10D.

What are the key properties of 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine?

6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine has a molecular weight of 796.14 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,20-N-bis(4-deuteriophenyl)-9,9,17,17-tetramethyl-6-N-(4-methylphenyl)-20-N-(4-trimethylsilylphenyl)-1-azaheptacyclo[13.9.1.02,10.03,8.011,25.016,24.018,23]pentacosa-2(10),3(8),4,6,11(25),12,14,16(24),18(23),19,21-undecaene-6,20-diamine is sourced from PubChem (CID 167544667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).