(14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane

C58H45N5Si — CID 140951858

About (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane

(14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane (PubChem CID 140951858) has the molecular formula C58H45N5Si and a molecular weight of 840.12 g/mol. Its IUPAC name is (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
• PubChem CID: 140951858
• Molecular Formula: C58H45N5Si
• Molecular Weight: 840.12 g/mol
• Exact Mass: 839.34
• IUPAC Name: (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
• SMILES: Cn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)N(c3ccccn3)c3cc5c6ccccc6n(-c6ccccc6)c5cc3C4(C)C)c2)nc2ccccc21
• InChI: InChI=1S/C58H45N5Si/c1-58(2)48-34-33-45(64(42-23-9-5-10-24-42,43-25-11-6-12-26-43)44-27-19-20-40(36-44)57-60-50-29-14-16-31-52(50)61(57)3)37-54(48)63(56-32-17-18-35-59-56)55-38-47-46-28-13-15-30-51(46)62(53(47)39-49(55)58)41-21-7-4-8-22-41/h4-39H,1-3H3
• InChIKey: DUIISAYBOOHOOT-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.12
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

The IUPAC name of (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane (CID 140951858) is (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane.

What is the SMILES notation for (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

The canonical SMILES for (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane is Cn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)N(c3ccccn3)c3cc5c6ccccc6n(-c6ccccc6)c5cc3C4(C)C)c2)nc2ccccc21.

What is the InChIKey of (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

The InChIKey is DUIISAYBOOHOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N5Si/c1-58(2)48-34-33-45(64(42-23-9-5-10-24-42,43-25-11-6-12-26-43)44-27-19-20-40(36-44)57-60-50-29-14-16-31-52(50)61(57)3)37-54(48)63(56-32-17-18-35-59-56)55-38-47-46-28-13-15-30-51(46)62(53(47)39-49(55)58)41-21-7-4-8-22-41/h4-39H,1-3H3.

What are the key properties of (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

(14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane has a molecular weight of 840.12 g/mol, XLogP of 11.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (14,14-dimethyl-10-phenyl-21-pyridin-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 140951858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).