12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

C62H53N3SSi2 — CID 153487502

About 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine

12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (PubChem CID 153487502) has the molecular formula C62H53N3SSi2 and a molecular weight of 928.37 g/mol. Its IUPAC name is 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

Molecular Properties

• Compound Name: 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
• PubChem CID: 153487502
• Molecular Formula: C62H53N3SSi2
• Molecular Weight: 928.37 g/mol
• Exact Mass: 927.35
• IUPAC Name: 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1
• InChI: InChI=1S/C62H53N3SSi2/c1-67(2,3)46-36-32-44(33-37-46)63(42-20-9-7-10-21-42)55-40-57-60(51-27-15-13-24-48(51)55)61-52-28-16-14-25-49(52)56(64(43-22-11-8-12-23-43)45-34-38-47(39-35-45)68(4,5)6)41-58(61)65(57)54-30-19-29-53-50-26-17-18-31-59(50)66-62(53)54/h7-41H,1-6H3
• InChIKey: UGYIOKHOEBFYPC-UHFFFAOYSA-N
• XLogP: 17.49
• TPSA: 11.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.37
LogP ≤ 5	17.49
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 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

The IUPAC name of 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine (CID 153487502) is 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine.

What is the SMILES notation for 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

The canonical SMILES for 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc2n3-c2cccc3c2sc2ccccc23)cc1.

What is the InChIKey of 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

The InChIKey is UGYIOKHOEBFYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53N3SSi2/c1-67(2,3)46-36-32-44(33-37-46)63(42-20-9-7-10-21-42)55-40-57-60(51-27-15-13-24-48(51)55)61-52-28-16-14-25-49(52)56(64(43-22-11-8-12-23-43)45-34-38-47(39-35-45)68(4,5)6)41-58(61)65(57)54-30-19-29-53-50-26-17-18-31-59(50)66-62(53)54/h7-41H,1-6H3.

What are the key properties of 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine?

12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine has a molecular weight of 928.37 g/mol, XLogP of 17.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-dibenzothiophen-4-yl-9-N,15-N-diphenyl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine is sourced from PubChem (CID 153487502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).