5-N,18-N-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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

C71H72N2Si2 — CID 88594445

About 5-N,18-N-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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 88594445) has the molecular formula C71H72N2Si2 and a molecular weight of 1009.54 g/mol. Its IUPAC name is 5-N,18-N-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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: 88594445
• Molecular Formula: C71H72N2Si2
• Molecular Weight: 1009.54 g/mol
• Exact Mass: 1008.52
• IUPAC Name: 5-N,18-N-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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: CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)ccc23)cc1
• InChI: InChI=1S/C71H72N2Si2/c1-69(2,3)49-27-31-53(32-28-49)72(55-35-41-59(42-36-55)74(7,8)9)57-39-45-63-65(47-57)61-25-19-20-26-62(61)67-64-46-40-58(48-66(64)71(68(63)67,51-21-15-13-16-22-51)52-23-17-14-18-24-52)73(54-33-29-50(30-34-54)70(4,5)6)56-37-43-60(44-38-56)75(10,11)12/h13-48H,1-12H3
• InChIKey: VYZWZLZMEBDFCN-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.54
LogP ≤ 5	18.98
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-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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 88594445) is 5-N,18-N-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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 CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3c3ccccc3c3cc(N(c4ccc(C(C)(C)C)cc4)c4ccc([Si](C)(C)C)cc4)ccc23)cc1.

What is the InChIKey of 5-N,18-N-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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 VYZWZLZMEBDFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H72N2Si2/c1-69(2,3)49-27-31-53(32-28-49)72(55-35-41-59(42-36-55)74(7,8)9)57-39-45-63-65(47-57)61-25-19-20-26-62(61)67-64-46-40-58(48-66(64)71(68(63)67,51-21-15-13-16-22-51)52-23-17-14-18-24-52)73(54-33-29-50(30-34-54)70(4,5)6)56-37-43-60(44-38-56)75(10,11)12/h13-48H,1-12H3.

What are the key properties of 5-N,18-N-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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 1009.54 g/mol, XLogP of 18.98, 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-bis(4-tert-butylphenyl)-21,21-diphenyl-5-N,18-N-bis(4-trimethylsilylphenyl)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 88594445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).