N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine

C54H38N2OSi — CID 140706908

About N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine

N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine (PubChem CID 140706908) has the molecular formula C54H38N2OSi and a molecular weight of 759.00 g/mol. Its IUPAC name is N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine.

Molecular Properties

• Compound Name: N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
• PubChem CID: 140706908
• Molecular Formula: C54H38N2OSi
• Molecular Weight: 759.00 g/mol
• Exact Mass: 758.28
• IUPAC Name: N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
• SMILES: C1=CCCC([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)=C1
• InChI: InChI=1S/C54H38N2OSi/c1-4-15-40(16-5-1)58(41-17-6-2-7-18-41,42-19-8-3-9-20-42)43-31-27-37(28-32-43)55(39-29-33-46-45-22-11-13-26-52(45)57-53(46)36-39)38-30-34-51-49(35-38)48-24-14-23-47-44-21-10-12-25-50(44)56(51)54(47)48/h1-8,10-19,21-36H,9,20H2
• InChIKey: SIIASGPBTAFJGK-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 20.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.00
LogP ≤ 5	12.49
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-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The IUPAC name of N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine (CID 140706908) is N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine.

What is the SMILES notation for N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The canonical SMILES for N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine is C1=CCCC([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)c3cccc5c6ccccc6n4c53)cc2)=C1.

What is the InChIKey of N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

The InChIKey is SIIASGPBTAFJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2OSi/c1-4-15-40(16-5-1)58(41-17-6-2-7-18-41,42-19-8-3-9-20-42)43-31-27-37(28-32-43)55(39-29-33-46-45-22-11-13-26-52(45)57-53(46)36-39)38-30-34-51-49(35-38)48-24-14-23-47-44-21-10-12-25-50(44)56(51)54(47)48/h1-8,10-19,21-36H,9,20H2.

What are the key properties of N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine?

N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine has a molecular weight of 759.00 g/mol, XLogP of 12.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-N-dibenzofuran-3-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine is sourced from PubChem (CID 140706908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).