N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline

C72H49N3Si — CID 123365775

About N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline

N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline (PubChem CID 123365775) has the molecular formula C72H49N3Si and a molecular weight of 984.29 g/mol. Its IUPAC name is N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline
• PubChem CID: 123365775
• Molecular Formula: C72H49N3Si
• Molecular Weight: 984.29 g/mol
• Exact Mass: 983.37
• IUPAC Name: N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cc5)c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1
• InChI: InChI=1S/C72H49N3Si/c1-5-19-54(20-6-1)74-68-30-16-13-27-62(68)65-47-52(37-46-71(65)74)50-33-38-55(39-34-50)73(57-42-44-61(45-43-57)76(58-21-7-2-8-22-58,59-23-9-3-10-24-59)60-25-11-4-12-26-60)56-40-35-51(36-41-56)53-48-66-63-28-14-17-31-69(63)75-70-32-18-15-29-64(70)67(49-53)72(66)75/h1-49H
• InChIKey: OSRAKFXGDHQRPI-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-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline?

The IUPAC name of N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline (CID 123365775) is N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline.

What is the SMILES notation for N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline?

The canonical SMILES for N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cc5)c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1.

What is the InChIKey of N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline?

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

What are the key properties of N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline?

N-[4-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline 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-(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)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline is sourced from PubChem (CID 123365775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).