17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine

C67H56N2O2Si2 — CID 140785086

About 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine

17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine (PubChem CID 140785086) has the molecular formula C67H56N2O2Si2 and a molecular weight of 977.37 g/mol. Its IUPAC name is 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine.

Molecular Properties

• Compound Name: 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
• PubChem CID: 140785086
• Molecular Formula: C67H56N2O2Si2
• Molecular Weight: 977.37 g/mol
• Exact Mass: 976.39
• IUPAC Name: 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)c4oc5ccccc5c4c2-3)c2ccc3c(c2)oc2ccccc23)cc1
• InChI: InChI=1S/C67H56N2O2Si2/c1-72(2,3)52-36-30-48(31-37-52)68(51-34-40-55-54-26-16-18-28-61(54)70-63(55)43-51)50-35-41-56-58(42-50)67(45-20-10-7-11-21-45,46-22-12-8-13-23-46)59-44-60(66-65(64(56)59)57-27-17-19-29-62(57)71-66)69(47-24-14-9-15-25-47)49-32-38-53(39-33-49)73(4,5)6/h7-44H,1-6H3
• InChIKey: FKOUDQACTVDFOY-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.37
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine?

The IUPAC name of 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine (CID 140785086) is 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine.

What is the SMILES notation for 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine?

The canonical SMILES for 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine is C[Si](C)(C)c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)c4oc5ccccc5c4c2-3)c2ccc3c(c2)oc2ccccc23)cc1.

What is the InChIKey of 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine?

The InChIKey is FKOUDQACTVDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2O2Si2/c1-72(2,3)52-36-30-48(31-37-52)68(51-34-40-55-54-26-16-18-28-61(54)70-63(55)43-51)50-35-41-56-58(42-50)67(45-20-10-7-11-21-45,46-22-12-8-13-23-46)59-44-60(66-65(64(56)59)57-27-17-19-29-62(57)71-66)69(47-24-14-9-15-25-47)49-32-38-53(39-33-49)73(4,5)6/h7-44H,1-6H3.

What are the key properties of 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine?

17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine has a molecular weight of 977.37 g/mol, XLogP of 17.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine is sourced from PubChem (CID 140785086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).