(3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane

C57H42N2Si — CID 140842311

About (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane

(3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane (PubChem CID 140842311) has the molecular formula C57H42N2Si and a molecular weight of 783.06 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane
• PubChem CID: 140842311
• Molecular Formula: C57H42N2Si
• Molecular Weight: 783.06 g/mol
• Exact Mass: 782.31
• IUPAC Name: (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C57H42N2Si/c1-57(2)49-28-13-9-26-47(49)55-50(57)36-37-54-56(55)48-27-12-16-31-53(48)58(54)39-32-34-43(35-33-39)60(41-19-5-3-6-20-41,42-21-7-4-8-22-42)44-23-17-18-40(38-44)59-51-29-14-10-24-45(51)46-25-11-15-30-52(46)59/h3-38H,1-2H3
• InChIKey: XKQNSZOMDHHYMK-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-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane?

The IUPAC name of (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane (CID 140842311) is (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane.

What is the SMILES notation for (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane?

The canonical SMILES for (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane?

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

What are the key properties of (3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane?

(3-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane 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-carbazol-9-ylphenyl)-[4-(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]-diphenylsilane is sourced from PubChem (CID 140842311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).