N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine

C59H46N2OSi — CID 140711844

About N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine

N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine (PubChem CID 140711844) has the molecular formula C59H46N2OSi and a molecular weight of 827.12 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine.

Molecular Properties

• Compound Name: N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
• PubChem CID: 140711844
• Molecular Formula: C59H46N2OSi
• Molecular Weight: 827.12 g/mol
• Exact Mass: 826.34
• IUPAC Name: N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc5c6c(cccc6c4c3)Oc3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc3-5)cc2)cc1
• InChI: InChI=1S/C59H46N2OSi/c1-63(2,3)50-35-32-48(33-36-50)60(45-18-9-5-10-19-45)47-30-28-41(29-31-47)43-26-27-44-39-55-52-37-34-49(40-58(52)62-57-25-15-23-53(59(55)57)54(44)38-43)61(46-20-11-6-12-21-46)56-24-14-13-22-51(56)42-16-7-4-8-17-42/h4-40H,1-3H3
• InChIKey: LDEBKQZSRZUILM-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.12
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?

The IUPAC name of N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine (CID 140711844) is N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine.

What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?

The canonical SMILES for N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc5c6c(cccc6c4c3)Oc3cc(N(c4ccccc4)c4ccccc4-c4ccccc4)ccc3-5)cc2)cc1.

What is the InChIKey of N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?

The InChIKey is LDEBKQZSRZUILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2OSi/c1-63(2,3)50-35-32-48(33-36-50)60(45-18-9-5-10-19-45)47-30-28-41(29-31-47)43-26-27-44-39-55-52-37-34-49(40-58(52)62-57-25-15-23-53(59(55)57)54(44)38-43)61(46-20-11-6-12-21-46)56-24-14-13-22-51(56)42-16-7-4-8-17-42/h4-40H,1-3H3.

What are the key properties of N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine?

N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine has a molecular weight of 827.12 g/mol, XLogP of 16.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-(2-phenylphenyl)-16-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine is sourced from PubChem (CID 140711844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).