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

C48H33NS2Si — CID 164937760

IUPACN-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
SMILESC[Si]1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2c1ccc1sc3ccccc3c21
InChIInChI=1S/C48H33NS2Si/c1-52(2)45-26-25-44-47(38-12-6-8-14-42(38)51-44)48(45)39-23-21-36(29-46(39)52)49(35-22-24-43-40(28-35)37-11-5-7-13-41(37)50-43)34-19-17-31(18-20-34)33-16-15-30-9-3-4-10-32(30)27-33/h3-29H,1-2H3
InChIKeyDAMDGKFKJRJDBQ-UHFFFAOYSA-N
MW716.02 g/mol
LogP13.52
Rot. Bonds4

About 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

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 (PubChem CID 164937760) has the molecular formula C48H33NS2Si and a molecular weight of 716.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID164937760
Molecular FormulaC48H33NS2Si
Molecular Weight716.02 g/mol
Exact Mass715.18
IUPAC NameN-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
SMILESC[Si]1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2c1ccc1sc3ccccc3c21
InChIInChI=1S/C48H33NS2Si/c1-52(2)45-26-25-44-47(38-12-6-8-14-42(38)51-44)48(45)39-23-21-36(29-46(39)52)49(35-22-24-43-40(28-35)37-11-5-7-13-41(37)50-43)34-19-17-31(18-20-34)33-16-15-30-9-3-4-10-32(30)27-33/h3-29H,1-2H3
InChIKeyDAMDGKFKJRJDBQ-UHFFFAOYSA-N
XLogP13.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.02
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
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
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166565819
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
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-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915
N-[3-(2-dimethylsilylphenyl)-2-methylphenyl]-14,14-dimethyl-N-(4-naphthalen-1-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 174022261
N-(3,5-diphenylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166566179

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4sc5ccccc5c4c3)ccc2-c2c1ccc1sc3ccccc3c21.
What is the InChIKey of 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?
The InChIKey is DAMDGKFKJRJDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS2Si/c1-52(2)45-26-25-44-47(38-12-6-8-14-42(38)51-44)48(45)39-23-21-36(29-46(39)52)49(35-22-24-43-40(28-35)37-11-5-7-13-41(37)50-43)34-19-17-31(18-20-34)33-16-15-30-9-3-4-10-32(30)27-33/h3-29H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 716.02 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164937760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).