14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

C48H35NSSi — CID 164937706

IUPAC14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
SMILESC[Si]1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccccc4)c3)ccc2-c2c1ccc1sc3ccccc3c21
InChIInChI=1S/C48H35NSSi/c1-51(2)45-28-27-44-47(41-17-8-9-18-43(41)50-44)48(45)42-26-25-40(31-46(42)51)49(39-16-10-15-36(30-39)32-11-4-3-5-12-32)38-23-21-34(22-24-38)37-20-19-33-13-6-7-14-35(33)29-37/h3-31H,1-2H3
InChIKeyNXSUOJHADMYCGB-UHFFFAOYSA-N
MW685.97 g/mol
LogP12.81
Rot. Bonds5

About 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine

14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (PubChem CID 164937706) has the molecular formula C48H35NSSi and a molecular weight of 685.97 g/mol. Its IUPAC name is 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.

Molecular Properties

Compound Name14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
PubChem CID164937706
Molecular FormulaC48H35NSSi
Molecular Weight685.97 g/mol
Exact Mass685.23
IUPAC Name14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
SMILESC[Si]1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccccc4)c3)ccc2-c2c1ccc1sc3ccccc3c21
InChIInChI=1S/C48H35NSSi/c1-51(2)45-28-27-44-47(41-17-8-9-18-43(41)50-44)48(45)42-26-25-40(31-46(42)51)49(39-16-10-15-36(30-39)32-11-4-3-5-12-32)38-23-21-34(22-24-38)37-20-19-33-13-6-7-14-35(33)29-37/h3-31H,1-2H3
InChIKeyNXSUOJHADMYCGB-UHFFFAOYSA-N
XLogP12.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.97
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine with MolForge

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Related Compounds

N-dibenzothiophen-2-yl-14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 164937760
N-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 164937772
N-dibenzothiophen-2-yl-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
CID 158079961
N-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
CID 168768964
14,14-dimethyl-N-naphtho[1,2-b][1]benzothiol-1-yl-N-phenyl-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine
CID 164937630
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170037052
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzothiol-4-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170038025
N-(14,14-dimethyl-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 164937727
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170037373
N-(9,9-dimethyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 168768975
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
CID 166055489

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
The IUPAC name of 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine (CID 164937706) is 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine.
What is the SMILES notation for 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
The canonical SMILES for 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is C[Si]1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccccc4)c3)ccc2-c2c1ccc1sc3ccccc3c21.
What is the InChIKey of 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
The InChIKey is NXSUOJHADMYCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NSSi/c1-51(2)45-28-27-44-47(41-17-8-9-18-43(41)50-44)48(45)42-26-25-40(31-46(42)51)49(39-16-10-15-36(30-39)32-11-4-3-5-12-32)38-23-21-34(22-24-38)37-20-19-33-13-6-7-14-35(33)29-37/h3-31H,1-2H3.
What are the key properties of 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine?
14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine has a molecular weight of 685.97 g/mol, XLogP of 12.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-thia-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-amine is sourced from PubChem (CID 164937706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).