N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C59H43NO — CID 166584299

About N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 166584299) has the molecular formula C59H43NO and a molecular weight of 782.00 g/mol. Its IUPAC name is N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• PubChem CID: 166584299
• Molecular Formula: C59H43NO
• Molecular Weight: 782.00 g/mol
• Exact Mass: 781.33
• IUPAC Name: N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• SMILES: Cc1ccc(C(c2ccccc2-c2ccccc2)c2cc3oc4cc(N(c5ccc(C)cc5)c5ccccc5-c5ccccc5)c5ccccc5c4c3c3ccccc23)cc1
• InChI: InChI=1S/C59H43NO/c1-39-29-33-43(34-30-39)57(49-25-12-9-21-45(49)41-17-5-3-6-18-41)52-37-55-58(50-26-13-10-23-47(50)52)59-51-27-14-11-24-48(51)54(38-56(59)61-55)60(44-35-31-40(2)32-36-44)53-28-16-15-22-46(53)42-19-7-4-8-20-42/h3-38,57H,1-2H3
• InChIKey: IVBDNBXJVOPOGQ-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.00
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The IUPAC name of N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 166584299) is N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

What is the SMILES notation for N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The canonical SMILES for N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is Cc1ccc(C(c2ccccc2-c2ccccc2)c2cc3oc4cc(N(c5ccc(C)cc5)c5ccccc5-c5ccccc5)c5ccccc5c4c3c3ccccc23)cc1.

What is the InChIKey of N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The InChIKey is IVBDNBXJVOPOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43NO/c1-39-29-33-43(34-30-39)57(49-25-12-9-21-45(49)41-17-5-3-6-18-41)52-37-55-58(50-26-13-10-23-47(50)52)59-51-27-14-11-24-48(51)54(38-56(59)61-55)60(44-35-31-40(2)32-36-44)53-28-16-15-22-46(53)42-19-7-4-8-20-42/h3-38,57H,1-2H3.

What are the key properties of N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 782.00 g/mol, XLogP of 16.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-15-[(4-methylphenyl)-(2-phenylphenyl)methyl]-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 166584299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).