9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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

C55H56N2Si2 — CID 140738096

About 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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

9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 140738096) has the molecular formula C55H56N2Si2 and a molecular weight of 801.24 g/mol. Its IUPAC name is 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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: 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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: 140738096
• Molecular Formula: C55H56N2Si2
• Molecular Weight: 801.24 g/mol
• Exact Mass: 800.40
• IUPAC Name: 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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: Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc24)C3([Si](C)(C)C)[Si](C)(C)C)cc1
• InChI: InChI=1S/C55H56N2Si2/c1-37-19-27-41(28-20-37)56(42-29-21-38(2)22-30-42)51-35-49-53(47-17-13-11-15-45(47)51)54-48-18-14-12-16-46(48)52(36-50(54)55(49,58(5,6)7)59(8,9)10)57(43-31-23-39(3)24-32-43)44-33-25-40(4)26-34-44/h11-36H,1-10H3
• InChIKey: BDEZOCQNTMEPSP-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.24
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 140738096) is 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 Cc1ccc(N(c2ccc(C)cc2)c2cc3c(c4ccccc24)-c2c(cc(N(c4ccc(C)cc4)c4ccc(C)cc4)c4ccccc24)C3([Si](C)(C)C)[Si](C)(C)C)cc1.

What is the InChIKey of 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 BDEZOCQNTMEPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H56N2Si2/c1-37-19-27-41(28-20-37)56(42-29-21-38(2)22-30-42)51-35-49-53(47-17-13-11-15-45(47)51)54-48-18-14-12-16-46(48)52(36-50(54)55(49,58(5,6)7)59(8,9)10)57(43-31-23-39(3)24-32-43)44-33-25-40(4)26-34-44/h11-36H,1-10H3.

What are the key properties of 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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?

9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 801.24 g/mol, XLogP of 16.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[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 140738096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).