4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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

C68H48N2OSi — CID 140756973

About 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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 140756973) has the molecular formula C68H48N2OSi and a molecular weight of 937.23 g/mol. Its IUPAC name is 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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: 140756973
• Molecular Formula: C68H48N2OSi
• Molecular Weight: 937.23 g/mol
• Exact Mass: 936.35
• IUPAC Name: 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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-c3ccccc3)ccc2-c2cc3c4ccccc4c(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccccc4)cc3c3cccc1c23
• InChI: InChI=1S/C68H48N2OSi/c1-72(2)66-36-20-32-57-59-44-63(70(62-34-18-15-28-51(62)46-23-8-4-9-24-46)48-37-39-55-54-31-16-19-35-64(54)71-65(55)41-48)53-30-13-12-29-52(53)58(59)43-60(68(57)66)56-40-38-49(42-67(56)72)69(47-25-10-5-11-26-47)61-33-17-14-27-50(61)45-21-6-3-7-22-45/h3-44H,1-2H3
• InChIKey: BKGGDVUWXTYPCZ-UHFFFAOYSA-N
• XLogP: 18.12
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.23
LogP ≤ 5	18.12
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,17-N-bis(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-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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 140756973) is 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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-c3ccccc3)ccc2-c2cc3c4ccccc4c(N(c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4ccccc4)cc3c3cccc1c23.

What is the InChIKey of 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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 BKGGDVUWXTYPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2OSi/c1-72(2)66-36-20-32-57-59-44-63(70(62-34-18-15-28-51(62)46-23-8-4-9-24-46)48-37-39-55-54-31-16-19-35-64(54)71-65(55)41-48)53-30-13-12-29-52(53)58(59)43-60(68(57)66)56-40-38-49(42-67(56)72)69(47-25-10-5-11-26-47)61-33-17-14-27-50(61)45-21-6-3-7-22-45/h3-44H,1-2H3.

What are the key properties of 4-N-dibenzofuran-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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-3-yl-20,20-dimethyl-17-N-phenyl-4-N,17-N-bis(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 937.23 g/mol, XLogP of 18.12, 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,17-N-bis(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 140756973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).