N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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

C48H33NOSSi — CID 164937554

IUPACN-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3sc3ccccc34)ccc2-c2c1ccc1oc3ccccc3c21
InChIInChI=1S/C48H33NOSSi/c1-52(2)44-27-26-42-46(38-18-5-7-22-41(38)50-42)47(44)39-25-24-33(29-45(39)52)49(40-21-11-20-37-36-17-6-8-23-43(36)51-48(37)40)32-15-9-14-31(28-32)35-19-10-13-30-12-3-4-16-34(30)35/h3-29H,1-2H3
InChIKeyWJNNNXHDQLPSBF-UHFFFAOYSA-N
MW699.95 g/mol
LogP13.05
Rot. Bonds4

About N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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 164937554) has the molecular formula C48H33NOSSi and a molecular weight of 699.95 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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 CID164937554
Molecular FormulaC48H33NOSSi
Molecular Weight699.95 g/mol
Exact Mass699.21
IUPAC NameN-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3sc3ccccc34)ccc2-c2c1ccc1oc3ccccc3c21
InChIInChI=1S/C48H33NOSSi/c1-52(2)44-27-26-42-46(38-18-5-7-22-41(38)50-42)47(44)39-25-24-33(29-45(39)52)49(40-21-11-20-37-36-17-6-8-23-43(36)51-48(37)40)32-15-9-14-31(28-32)35-19-10-13-30-12-3-4-16-34(30)35/h3-29H,1-2H3
InChIKeyWJNNNXHDQLPSBF-UHFFFAOYSA-N
XLogP13.05
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.95
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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

N-dibenzofuran-2-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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 164937696
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
14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9-oxa-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 164937634
14,14-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-9-oxa-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 164937679
N-dibenzofuran-4-yl-14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-9-oxa-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 164937720
N-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-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 168768948
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-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-20-oxa-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 168768982
N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
CID 168766720
N-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-14,14-dimethyl-N-(3-naphthalen-2-ylphenyl)-9-oxa-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 164937716
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 168766762
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170032627

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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 164937554) is N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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(c3cccc(-c4cccc5ccccc45)c3)c3cccc4c3sc3ccccc34)ccc2-c2c1ccc1oc3ccccc3c21.
What is the InChIKey of N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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 WJNNNXHDQLPSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NOSSi/c1-52(2)44-27-26-42-46(38-18-5-7-22-41(38)50-42)47(44)39-25-24-33(29-45(39)52)49(40-21-11-20-37-36-17-6-8-23-43(36)51-48(37)40)32-15-9-14-31(28-32)35-19-10-13-30-12-3-4-16-34(30)35/h3-29H,1-2H3.
What are the key properties of N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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 699.95 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-14,14-dimethyl-N-(3-naphthalen-1-ylphenyl)-9-oxa-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 164937554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).