17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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

C74H51FN2OSi — CID 140757250

About 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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

17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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 140757250) has the molecular formula C74H51FN2OSi and a molecular weight of 1031.32 g/mol. Its IUPAC name is 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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: 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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: 140757250
• Molecular Formula: C74H51FN2OSi
• Molecular Weight: 1031.32 g/mol
• Exact Mass: 1030.38
• IUPAC Name: 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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]1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)cc3c3cccc1c23
• InChI: InChI=1S/C74H51FN2OSi/c1-79(2)70-40-22-35-59-63-47-68(77(52-29-13-6-14-30-52)73-61(50-27-11-5-12-28-50)43-51(44-65(73)75)48-23-7-3-8-24-48)56-33-16-15-32-55(56)62(63)46-64(72(59)70)58-42-41-53(45-71(58)79)76(66-37-19-17-31-54(66)49-25-9-4-10-26-49)67-38-21-36-60-57-34-18-20-39-69(57)78-74(60)67/h3-47H,1-2H3
• InChIKey: NDOMWGULGAJKHL-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.32
LogP ≤ 5	19.93
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-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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 140757250) is 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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]1(C)c2cc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3c4ccccc4c(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)cc3c3cccc1c23.

What is the InChIKey of 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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 NDOMWGULGAJKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51FN2OSi/c1-79(2)70-40-22-35-59-63-47-68(77(52-29-13-6-14-30-52)73-61(50-27-11-5-12-28-50)43-51(44-65(73)75)48-23-7-3-8-24-48)56-33-16-15-32-55(56)62(63)46-64(72(59)70)58-42-41-53(45-71(58)79)76(66-37-19-17-31-54(66)49-25-9-4-10-26-49)67-38-21-36-60-57-34-18-20-39-69(57)78-74(60)67/h3-47H,1-2H3.

What are the key properties of 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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?

17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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 1031.32 g/mol, XLogP of 19.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-20,20-dimethyl-4-N-phenyl-17-N-(2-phenylphenyl)-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 140757250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).