N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine

C37H30N2Si — CID 171729345

About N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine

N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine (PubChem CID 171729345) has the molecular formula C37H30N2Si and a molecular weight of 530.75 g/mol. Its IUPAC name is N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine.

Molecular Properties

• Compound Name: N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
• PubChem CID: 171729345
• Molecular Formula: C37H30N2Si
• Molecular Weight: 530.75 g/mol
• Exact Mass: 530.22
• IUPAC Name: N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
• SMILES: C[Si](C)(C)c1c(N(c2ccccc2)c2cc3c4ccccc4n4c5ccccc5c(c2)c34)ccc2ccccc12
• InChI: InChI=1S/C37H30N2Si/c1-40(2,3)37-28-16-8-7-13-25(28)21-22-35(37)38(26-14-5-4-6-15-26)27-23-31-29-17-9-11-19-33(29)39-34-20-12-10-18-30(34)32(24-27)36(31)39/h4-24H,1-3H3
• InChIKey: GSWWYJCFFAYLDH-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 7.65 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.75
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?

The IUPAC name of N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine (CID 171729345) is N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine.

What is the SMILES notation for N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?

The canonical SMILES for N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine is C[Si](C)(C)c1c(N(c2ccccc2)c2cc3c4ccccc4n4c5ccccc5c(c2)c34)ccc2ccccc12.

What is the InChIKey of N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?

The InChIKey is GSWWYJCFFAYLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N2Si/c1-40(2,3)37-28-16-8-7-13-25(28)21-22-35(37)38(26-14-5-4-6-15-26)27-23-31-29-17-9-11-19-33(29)39-34-20-12-10-18-30(34)32(24-27)36(31)39/h4-24H,1-3H3.

What are the key properties of N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?

N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine has a molecular weight of 530.75 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-(1-trimethylsilylnaphthalen-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine is sourced from PubChem (CID 171729345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).