4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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

C65H52N2OSi2 — CID 140757017

About 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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

4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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 140757017) has the molecular formula C65H52N2OSi2 and a molecular weight of 933.32 g/mol. Its IUPAC name is 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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: 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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: 140757017
• Molecular Formula: C65H52N2OSi2
• Molecular Weight: 933.32 g/mol
• Exact Mass: 932.36
• IUPAC Name: 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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: C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2c3ccccc3c(N(c3ccc5c(c3)oc3ccccc35)c3ccccc3-c3ccccc3)cc42)cc1
• InChI: InChI=1S/C65H52N2OSi2/c1-69(2,3)48-35-31-45(32-36-48)66(44-21-10-7-11-22-44)47-34-38-54-58-41-56-50-24-12-13-25-51(50)60(42-57(56)55-27-18-30-63(65(55)58)70(4,5)64(54)40-47)67(59-28-16-14-23-49(59)43-19-8-6-9-20-43)46-33-37-53-52-26-15-17-29-61(52)68-62(53)39-46/h6-42H,1-5H3
• InChIKey: NUVBRIOMDMYCNF-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.32
LogP ≤ 5	17.00
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 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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 140757017) is 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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 C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2c3ccccc3c(N(c3ccc5c(c3)oc3ccccc35)c3ccccc3-c3ccccc3)cc42)cc1.

What is the InChIKey of 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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 NUVBRIOMDMYCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52N2OSi2/c1-69(2,3)48-35-31-45(32-36-48)66(44-21-10-7-11-22-44)47-34-38-54-58-41-56-50-24-12-13-25-51(50)60(42-57(56)55-27-18-30-63(65(55)58)70(4,5)64(54)40-47)67(59-28-16-14-23-49(59)43-19-8-6-9-20-43)46-33-37-53-52-26-15-17-29-61(52)68-62(53)39-46/h6-42H,1-5H3.

What are the key properties of 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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?

4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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 933.32 g/mol, XLogP of 17.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-silahexacyclo[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 140757017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).