9,9-dimethyl-N-naphthalen-1-yl-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-7-amine

C46H33NSSi — CID 166503464

IUPAC9,9-dimethyl-N-naphthalen-1-yl-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-7-amine
SMILESC[Si]1(C)c2ccc3c(sc4ccccc43)c2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)c21
InChIInChI=1S/C46H33NSSi/c1-49(2)43-28-27-38-37-16-7-8-20-42(37)48-45(38)44(43)39-17-10-19-41(46(39)49)47(40-18-9-14-32-12-5-6-15-36(32)40)35-25-23-31(24-26-35)34-22-21-30-11-3-4-13-33(30)29-34/h3-29H,1-2H3
InChIKeyUXAVGXAOZIWDCM-UHFFFAOYSA-N
MW659.93 g/mol
LogP12.30
Rot. Bonds4

About 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine

9,9-dimethyl-N-naphthalen-1-yl-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-7-amine (PubChem CID 166503464) has the molecular formula C46H33NSSi and a molecular weight of 659.93 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-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-7-amine
PubChem CID166503464
Molecular FormulaC46H33NSSi
Molecular Weight659.93 g/mol
Exact Mass659.21
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-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-7-amine
SMILESC[Si]1(C)c2ccc3c(sc4ccccc43)c2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)c21
InChIInChI=1S/C46H33NSSi/c1-49(2)43-28-27-38-37-16-7-8-20-42(37)48-45(38)44(43)39-17-10-19-41(46(39)49)47(40-18-9-14-32-12-5-6-15-36(32)40)35-25-23-31(24-26-35)34-22-21-30-11-3-4-13-33(30)29-34/h3-29H,1-2H3
InChIKeyUXAVGXAOZIWDCM-UHFFFAOYSA-N
XLogP12.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.93
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine with MolForge

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-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-7-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-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-5-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-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 167684211
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
9,9-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)-20-thia-9-silapentacyclo[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 166503505
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-dibenzothiophen-4-yl-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-4-amine
CID 138718885
N-[2-[2-(N-dibenzothiophen-4-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167086859
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566107
14,14-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-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-16-amine
CID 164937662
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 172502003

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine (CID 166503464) is 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine is C[Si]1(C)c2ccc3c(sc4ccccc43)c2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4ccccc34)c21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine?
The InChIKey is UXAVGXAOZIWDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33NSSi/c1-49(2)43-28-27-38-37-16-7-8-20-42(37)48-45(38)44(43)39-17-10-19-41(46(39)49)47(40-18-9-14-32-12-5-6-15-36(32)40)35-25-23-31(24-26-35)34-22-21-30-11-3-4-13-33(30)29-34/h3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine?
9,9-dimethyl-N-naphthalen-1-yl-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-7-amine has a molecular weight of 659.93 g/mol, XLogP of 12.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-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-7-amine is sourced from PubChem (CID 166503464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).