N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine

C54H38N2Si — CID 123397867

About N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine

N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine (PubChem CID 123397867) has the molecular formula C54H38N2Si and a molecular weight of 743.00 g/mol. Its IUPAC name is N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine.

Molecular Properties

• Compound Name: N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
• PubChem CID: 123397867
• Molecular Formula: C54H38N2Si
• Molecular Weight: 743.00 g/mol
• Exact Mass: 742.28
• IUPAC Name: N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
• SMILES: c1ccc(N(c2ccc3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc3c2)c2ccc3c4c2ccc2cccc(c24)n3-c2ccccc2)cc1
• InChI: InChI=1S/C54H38N2Si/c1-6-18-42(19-7-1)55(50-35-36-52-54-49(50)34-31-39-17-16-28-51(53(39)54)56(52)43-20-8-2-9-21-43)44-32-29-41-38-48(33-30-40(41)37-44)57(45-22-10-3-11-23-45,46-24-12-4-13-25-46)47-26-14-5-15-27-47/h1-38H
• InChIKey: RBIPVADUYOLZOU-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.00
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?

The IUPAC name of N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine (CID 123397867) is N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine.

What is the SMILES notation for N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?

The canonical SMILES for N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine is c1ccc(N(c2ccc3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc3c2)c2ccc3c4c2ccc2cccc(c24)n3-c2ccccc2)cc1.

What is the InChIKey of N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?

The InChIKey is RBIPVADUYOLZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2Si/c1-6-18-42(19-7-1)55(50-35-36-52-54-49(50)34-31-39-17-16-28-51(53(39)54)56(52)43-20-8-2-9-21-43)44-32-29-41-38-48(33-30-40(41)37-44)57(45-22-10-3-11-23-45,46-24-12-4-13-25-46)47-26-14-5-15-27-47/h1-38H.

What are the key properties of N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine?

N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine has a molecular weight of 743.00 g/mol, XLogP of 11.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,15-diphenyl-N-(6-triphenylsilylnaphthalen-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine is sourced from PubChem (CID 123397867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).