17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

C55H52N2OSi2 — CID 163774622

About 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (PubChem CID 163774622) has the molecular formula C55H52N2OSi2 and a molecular weight of 813.21 g/mol. Its IUPAC name is 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

Molecular Properties

• Compound Name: 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• PubChem CID: 163774622
• Molecular Formula: C55H52N2OSi2
• Molecular Weight: 813.21 g/mol
• Exact Mass: 812.36
• IUPAC Name: 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• SMILES: CC1([Si](C)(C)C)C=CC(N(c2ccccc2)c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)cc42)=CC1
• InChI: InChI=1S/C55H52N2OSi2/c1-55(60(5,6)7)33-31-41(32-34-55)56(38-17-10-8-11-18-38)42-27-30-46-50-36-48-44-21-14-15-22-45(44)51(37-49(48)47-23-16-24-52(54(47)50)58-53(46)35-42)57(39-19-12-9-13-20-39)40-25-28-43(29-26-40)59(2,3)4/h8-33,35-37H,34H2,1-7H3
• InChIKey: MJHYIKYABJNAMH-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.21
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The IUPAC name of 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (CID 163774622) is 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

What is the SMILES notation for 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The canonical SMILES for 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is CC1([Si](C)(C)C)C=CC(N(c2ccccc2)c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)cc42)=CC1.

What is the InChIKey of 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The InChIKey is MJHYIKYABJNAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H52N2OSi2/c1-55(60(5,6)7)33-31-41(32-34-55)56(38-17-10-8-11-18-38)42-27-30-46-50-36-48-44-21-14-15-22-45(44)51(37-49(48)47-23-16-24-52(54(47)50)58-53(46)35-42)57(39-19-12-9-13-20-39)40-25-28-43(29-26-40)59(2,3)4/h8-33,35-37H,34H2,1-7H3.

What are the key properties of 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine has a molecular weight of 813.21 g/mol, XLogP of 16.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-N-(4-methyl-4-trimethylsilylcyclohexa-1,5-dien-1-yl)-4-N,17-N-diphenyl-4-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is sourced from PubChem (CID 163774622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).