21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine

C53H44N2Si — CID 140738070

About 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine

21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine (PubChem CID 140738070) has the molecular formula C53H44N2Si and a molecular weight of 737.04 g/mol. Its IUPAC name is 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine.

Molecular Properties

• Compound Name: 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
• PubChem CID: 140738070
• Molecular Formula: C53H44N2Si
• Molecular Weight: 737.04 g/mol
• Exact Mass: 736.33
• IUPAC Name: 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
• SMILES: CC1([Si](C)(C)C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc1c1ccccc21
• InChI: InChI=1S/C53H44N2Si/c1-53(56(2,3)4)50-36-44(54(39-20-8-5-9-21-39)40-22-10-6-11-23-40)31-33-48(50)51-46-27-17-16-26-45(46)49-35-43(30-32-47(49)52(51)53)55(41-24-12-7-13-25-41)42-29-28-37-18-14-15-19-38(37)34-42/h5-36H,1-4H3
• InChIKey: HYZIBUUWODFZMW-UHFFFAOYSA-N
• XLogP: 15.25
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.04
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

The IUPAC name of 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine (CID 140738070) is 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine.

What is the SMILES notation for 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

The canonical SMILES for 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine is CC1([Si](C)(C)C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2c1c1ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc1c1ccccc21.

What is the InChIKey of 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

The InChIKey is HYZIBUUWODFZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N2Si/c1-53(56(2,3)4)50-36-44(54(39-20-8-5-9-21-39)40-22-10-6-11-23-40)31-33-48(50)51-46-27-17-16-26-45(46)49-35-43(30-32-47(49)52(51)53)55(41-24-12-7-13-25-41)42-29-28-37-18-14-15-19-38(37)34-42/h5-36H,1-4H3.

What are the key properties of 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine?

21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine has a molecular weight of 737.04 g/mol, XLogP of 15.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 21-methyl-5-N-naphthalen-2-yl-5-N,18-N,18-N-triphenyl-21-trimethylsilylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine is sourced from PubChem (CID 140738070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).