9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile

C67H42N4Si — CID 123547458

About 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile

9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile (PubChem CID 123547458) has the molecular formula C67H42N4Si and a molecular weight of 931.19 g/mol. Its IUPAC name is 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile
• PubChem CID: 123547458
• Molecular Formula: C67H42N4Si
• Molecular Weight: 931.19 g/mol
• Exact Mass: 930.32
• IUPAC Name: 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc3n4-c3ccccc3)ccc1n2-c1cc2c3ccccc3n3c4ccccc4c(c1)c23
• InChI: InChI=1S/C67H42N4Si/c68-43-44-29-33-63-55(37-44)56-38-45(31-35-65(56)70(63)48-40-59-53-25-13-15-27-61(53)71-62-28-16-14-26-54(62)60(41-48)67(59)71)46-30-34-64-57(39-46)58-42-52(32-36-66(58)69(64)47-17-5-1-6-18-47)72(49-19-7-2-8-20-49,50-21-9-3-10-22-50)51-23-11-4-12-24-51/h1-42H
• InChIKey: KLNPCSVLGIXYSB-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 38.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.19
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile?

The IUPAC name of 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile (CID 123547458) is 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile.

What is the SMILES notation for 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile?

The canonical SMILES for 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc3n4-c3ccccc3)ccc1n2-c1cc2c3ccccc3n3c4ccccc4c(c1)c23.

What is the InChIKey of 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile?

The InChIKey is KLNPCSVLGIXYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N4Si/c68-43-44-29-33-63-55(37-44)56-38-45(31-35-65(56)70(63)48-40-59-53-25-13-15-27-61(53)71-62-28-16-14-26-54(62)60(41-48)67(59)71)46-30-34-64-57(39-46)58-42-52(32-36-66(58)69(64)47-17-5-1-6-18-47)72(49-19-7-2-8-20-49,50-21-9-3-10-22-50)51-23-11-4-12-24-51/h1-42H.

What are the key properties of 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile?

9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile has a molecular weight of 931.19 g/mol, XLogP of 13.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 123547458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).