N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine

C58H39NOSSi — CID 161282619

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4c5ccccc5oc4c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C58H39NOSSi/c1-4-18-46(19-5-1)62(47-20-6-2-7-21-47,48-22-8-3-9-23-48)49-36-34-45(35-37-49)59(44-32-30-41(31-33-44)43-29-28-40-16-10-11-17-42(40)38-43)53-39-52-50-24-12-14-26-54(50)60-57(52)56-51-25-13-15-27-55(51)61-58(53)56/h1-39H
InChIKeyJQDDXRYJYBZUDY-UHFFFAOYSA-N
MW826.11 g/mol
LogP13.62
Rot. Bonds8

About N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine

N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine (PubChem CID 161282619) has the molecular formula C58H39NOSSi and a molecular weight of 826.11 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
PubChem CID161282619
Molecular FormulaC58H39NOSSi
Molecular Weight826.11 g/mol
Exact Mass825.25
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4c5ccccc5oc4c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C58H39NOSSi/c1-4-18-46(19-5-1)62(47-20-6-2-7-21-47,48-22-8-3-9-23-48)49-36-34-45(35-37-49)59(44-32-30-41(31-33-44)43-29-28-40-16-10-11-17-42(40)38-43)53-39-52-50-24-12-14-26-54(50)60-57(52)56-51-25-13-15-27-55(51)61-58(53)56/h1-39H
InChIKeyJQDDXRYJYBZUDY-UHFFFAOYSA-N
XLogP13.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.11
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine with MolForge

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Related Compounds

N-naphthalen-1-yl-N-(4-phenylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 167132581
N-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N-(4-phenylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 170929891
N-dibenzofuran-1-yl-N-naphthalen-2-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 167132525
N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 167132636
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
CID 176820484
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167325168
N-[4-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 167132517
4-naphthalen-1-yl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-phenylaniline
CID 167132675
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine
CID 158231875
9,10-dinaphthalen-2-yl-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N,N-diphenylanthracen-2-amine
CID 167132731
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 168847999

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine (CID 161282619) is N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4c5ccccc5oc4c4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine?
The InChIKey is JQDDXRYJYBZUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NOSSi/c1-4-18-46(19-5-1)62(47-20-6-2-7-21-47,48-22-8-3-9-23-48)49-36-34-45(35-37-49)59(44-32-30-41(31-33-44)43-29-28-40-16-10-11-17-42(40)38-43)53-39-52-50-24-12-14-26-54(50)60-57(52)56-51-25-13-15-27-55(51)61-58(53)56/h1-39H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine has a molecular weight of 826.11 g/mol, XLogP of 13.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(4-triphenylsilylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine is sourced from PubChem (CID 161282619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).