N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine

C54H37NOSSi — CID 164970847

IUPACN-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2cccc3oc4ccc5c6ccccc6sc5c4c23)cc1
InChIInChI=1S/C54H37NOSSi/c1-5-16-40(17-6-1)55(48-25-15-26-49-52(48)53-50(56-49)37-36-47-46-24-13-14-27-51(46)57-54(47)53)41-32-28-38(29-33-41)39-30-34-45(35-31-39)58(42-18-7-2-8-19-42,43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-37H
InChIKeyXQZBNDPXNBHFHT-UHFFFAOYSA-N
MW776.05 g/mol
LogP12.47
Rot. Bonds8

About N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine

N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine (PubChem CID 164970847) has the molecular formula C54H37NOSSi and a molecular weight of 776.05 g/mol. Its IUPAC name is N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
PubChem CID164970847
Molecular FormulaC54H37NOSSi
Molecular Weight776.05 g/mol
Exact Mass775.24
IUPAC NameN-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2cccc3oc4ccc5c6ccccc6sc5c4c23)cc1
InChIInChI=1S/C54H37NOSSi/c1-5-16-40(17-6-1)55(48-25-15-26-49-52(48)53-50(56-49)37-36-47-46-24-13-14-27-51(46)57-54(47)53)41-32-28-38(29-33-41)39-30-34-45(35-31-39)58(42-18-7-2-8-19-42,43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-37H
InChIKeyXQZBNDPXNBHFHT-UHFFFAOYSA-N
XLogP12.47
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.05
LogP ≤ 512.47
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-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine with MolForge

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Related Compounds

N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-4-(4-triphenylsilylphenyl)aniline
CID 165038709
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164990906
N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164979745
N-dibenzothiophen-4-yl-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164952492
N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 165109689
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 164973081
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 164996776
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
CID 140709047
N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-4-amine
CID 158231875

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
The IUPAC name of N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine (CID 164970847) is N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine.
What is the SMILES notation for N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
The canonical SMILES for N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine is c1ccc(N(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)c2cccc3oc4ccc5c6ccccc6sc5c4c23)cc1.
What is the InChIKey of N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
The InChIKey is XQZBNDPXNBHFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NOSSi/c1-5-16-40(17-6-1)55(48-25-15-26-49-52(48)53-50(56-49)37-36-47-46-24-13-14-27-51(46)57-54(47)53)41-32-28-38(29-33-41)39-30-34-45(35-31-39)58(42-18-7-2-8-19-42,43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-37H.
What are the key properties of N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine?
N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine has a molecular weight of 776.05 g/mol, XLogP of 12.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine is sourced from PubChem (CID 164970847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).