N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine

C72H49N3Si — CID 123973241

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine (PubChem CID 123973241) has the molecular formula C72H49N3Si and a molecular weight of 984.29 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine.

Molecular Properties

• Compound Name: N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
• PubChem CID: 123973241
• Molecular Formula: C72H49N3Si
• Molecular Weight: 984.29 g/mol
• Exact Mass: 983.37
• IUPAC Name: N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc6c(c5)c5cccc7c8ccccc8n6c75)cc4)ccc32)cc1
• InChI: InChI=1S/C72H49N3Si/c1-5-18-54(19-6-1)74-68-30-15-14-27-63(68)66-48-53(38-46-70(66)74)52-34-41-56(42-35-52)73(57-43-47-71-67(49-57)65-29-17-28-64-62-26-13-16-31-69(62)75(71)72(64)65)55-39-32-50(33-40-55)51-36-44-61(45-37-51)76(58-20-7-2-8-21-58,59-22-9-3-10-23-59)60-24-11-4-12-25-60/h1-49H
• InChIKey: LBKDUOVADRTQCL-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 12.58 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.29
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine (CID 123973241) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine.

What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc6c(c5)c5cccc7c8ccccc8n6c75)cc4)ccc32)cc1.

What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The InChIKey is LBKDUOVADRTQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3Si/c1-5-18-54(19-6-1)74-68-30-15-14-27-63(68)66-48-53(38-46-70(66)74)52-34-41-56(42-35-52)73(57-43-47-71-67(49-57)65-29-17-28-64-62-26-13-16-31-69(62)75(71)72(64)65)55-39-32-50(33-40-55)51-36-44-61(45-37-51)76(58-20-7-2-8-21-58,59-22-9-3-10-23-59)60-24-11-4-12-25-60/h1-49H.

What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine has a molecular weight of 984.29 g/mol, XLogP of 16.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine is sourced from PubChem (CID 123973241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).