5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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

C63H56N2Si2 — CID 140738043

About 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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

5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 140738043) has the molecular formula C63H56N2Si2 and a molecular weight of 897.33 g/mol. Its IUPAC name is 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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: 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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: 140738043
• Molecular Formula: C63H56N2Si2
• Molecular Weight: 897.33 g/mol
• Exact Mass: 896.40
• IUPAC Name: 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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: C[Si](C)(C)C1([Si](C)(C)C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2c1c1ccc(N(c3ccccc3)c3ccccc3-c3ccccc3)cc1c1ccccc21
• InChI: InChI=1S/C63H56N2Si2/c1-66(2,3)63(67(4,5)6)58-44-50(65(48-31-17-10-18-32-48)60-38-24-22-34-52(60)46-27-13-8-14-28-46)40-42-56(58)61-54-36-20-19-35-53(54)57-43-49(39-41-55(57)62(61)63)64(47-29-15-9-16-30-47)59-37-23-21-33-51(59)45-25-11-7-12-26-45/h7-44H,1-6H3
• InChIKey: IBROJRLUOOISGB-UHFFFAOYSA-N
• XLogP: 18.29
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.33
LogP ≤ 5	18.29
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 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 140738043) is 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 C[Si](C)(C)C1([Si](C)(C)C)c2cc(N(c3ccccc3)c3ccccc3-c3ccccc3)ccc2-c2c1c1ccc(N(c3ccccc3)c3ccccc3-c3ccccc3)cc1c1ccccc21.

What is the InChIKey of 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 IBROJRLUOOISGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H56N2Si2/c1-66(2,3)63(67(4,5)6)58-44-50(65(48-31-17-10-18-32-48)60-38-24-22-34-52(60)46-27-13-8-14-28-46)40-42-56(58)61-54-36-20-19-35-53(54)57-43-49(39-41-55(57)62(61)63)64(47-29-15-9-16-30-47)59-37-23-21-33-51(59)45-25-11-7-12-26-45/h7-44H,1-6H3.

What are the key properties of 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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?

5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 897.33 g/mol, XLogP of 18.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,18-N-diphenyl-5-N,18-N-bis(2-phenylphenyl)-21,21-bis(trimethylsilyl)pentacyclo[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 140738043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).