5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C62H56N2Si — CID 140756978

About 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 140756978) has the molecular formula C62H56N2Si and a molecular weight of 857.23 g/mol. Its IUPAC name is 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

• Compound Name: 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• PubChem CID: 140756978
• Molecular Formula: C62H56N2Si
• Molecular Weight: 857.23 g/mol
• Exact Mass: 856.42
• IUPAC Name: 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc5ccccc5c3)cc24)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C62H56N2Si/c1-61(2,3)46-23-30-48(31-24-46)63(50-27-20-41-14-9-11-16-43(41)36-50)52-29-22-45-38-57-54-35-34-53(40-59(54)65(7,8)58-19-13-18-55(60(57)58)56(45)39-52)64(49-32-25-47(26-33-49)62(4,5)6)51-28-21-42-15-10-12-17-44(42)37-51/h9-40H,1-8H3
• InChIKey: BQYHQXXQSSVVPK-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.23
LogP ≤ 5	16.64
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,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The IUPAC name of 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 140756978) is 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

What is the SMILES notation for 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The canonical SMILES for 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is CC(C)(C)c1ccc(N(c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc5ccccc5c3)cc24)c2ccc3ccccc3c2)cc1.

What is the InChIKey of 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The InChIKey is BQYHQXXQSSVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2Si/c1-61(2,3)46-23-30-48(31-24-46)63(50-27-20-41-14-9-11-16-43(41)36-50)52-29-22-45-38-57-54-35-34-53(40-59(54)65(7,8)58-19-13-18-55(60(57)58)56(45)39-52)64(49-32-25-47(26-33-49)62(4,5)6)51-28-21-42-15-10-12-17-44(42)37-51/h9-40H,1-8H3.

What are the key properties of 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 857.23 g/mol, XLogP of 16.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,16-N-bis(4-tert-butylphenyl)-8,8-dimethyl-5-N,16-N-dinaphthalen-2-yl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 140756978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).