[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane

C57H42N2Si — CID 140842761

About [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane

[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane (PubChem CID 140842761) has the molecular formula C57H42N2Si and a molecular weight of 783.06 g/mol. Its IUPAC name is [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane.

Molecular Properties

• Compound Name: [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
• PubChem CID: 140842761
• Molecular Formula: C57H42N2Si
• Molecular Weight: 783.06 g/mol
• Exact Mass: 782.31
• IUPAC Name: [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccccc2)c1
• InChI: InChI=1S/C57H42N2Si/c1-57(2)47-31-15-12-28-44(47)54-48(57)36-37-52-56(54)46-30-14-17-33-50(46)59(52)40-22-18-27-43(38-40)60(41-23-8-4-9-24-41,42-25-10-5-11-26-42)53-35-19-34-51-55(53)45-29-13-16-32-49(45)58(51)39-20-6-3-7-21-39/h3-38H,1-2H3
• InChIKey: GRVOWZAQQDLHRF-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.06
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?

The IUPAC name of [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane (CID 140842761) is [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane.

What is the SMILES notation for [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?

The canonical SMILES for [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccccc2)c1.

What is the InChIKey of [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?

The InChIKey is GRVOWZAQQDLHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2Si/c1-57(2)47-31-15-12-28-44(47)54-48(57)36-37-52-56(54)46-30-14-17-33-50(46)59(52)40-22-18-27-43(38-40)60(41-23-8-4-9-24-41,42-25-10-5-11-26-42)53-35-19-34-51-55(53)45-29-13-16-32-49(45)58(51)39-20-6-3-7-21-39/h3-38H,1-2H3.

What are the key properties of [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?

[3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane has a molecular weight of 783.06 g/mol, XLogP of 11.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane is sourced from PubChem (CID 140842761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).