4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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

C68H46N2O2Si — CID 140757146

About 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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

4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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 140757146) has the molecular formula C68H46N2O2Si and a molecular weight of 951.21 g/mol. Its IUPAC name is 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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: 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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: 140757146
• Molecular Formula: C68H46N2O2Si
• Molecular Weight: 951.21 g/mol
• Exact Mass: 950.33
• IUPAC Name: 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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)c4ccc5oc6ccccc6c5c4)cc3c3cccc1c23
• InChI: InChI=1S/C68H46N2O2Si/c1-73(2)65-34-18-28-53-56-42-61(69(44-21-7-4-8-22-44)45-36-38-64-57(39-45)51-27-13-15-32-62(51)71-64)49-25-10-9-24-48(49)55(56)41-58(67(53)65)52-37-35-46(40-66(52)73)70(59-30-14-11-23-47(59)43-19-5-3-6-20-43)60-31-17-29-54-50-26-12-16-33-63(50)72-68(54)60/h3-42H,1-2H3
• InChIKey: BTRZVRYJMYELAN-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.21
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-2-yl-17-N-dibenzofuran-4-yl-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 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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 140757146) is 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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)c4ccc5oc6ccccc6c5c4)cc3c3cccc1c23.

What is the InChIKey of 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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 BTRZVRYJMYELAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2O2Si/c1-73(2)65-34-18-28-53-56-42-61(69(44-21-7-4-8-22-44)45-36-38-64-57(39-45)51-27-13-15-32-62(51)71-64)49-25-10-9-24-48(49)55(56)41-58(67(53)65)52-37-35-46(40-66(52)73)70(59-30-14-11-23-47(59)43-19-5-3-6-20-43)60-31-17-29-54-50-26-12-16-33-63(50)72-68(54)60/h3-42H,1-2H3.

What are the key properties of 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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?

4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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 951.21 g/mol, XLogP of 18.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-dibenzofuran-2-yl-17-N-dibenzofuran-4-yl-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 140757146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).