9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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

C48H35NSSi — CID 161327536

IUPAC9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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
SMILESC[Si]1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C48H35NSSi/c1-51(2)45-29-27-41-40-22-11-12-23-44(40)50-48(41)47(45)42-25-24-36(31-46(42)51)49(35-19-13-18-34(30-35)32-14-5-3-6-15-32)43-28-26-37(33-16-7-4-8-17-33)38-20-9-10-21-39(38)43/h3-31H,1-2H3
InChIKeyVGSZFAUPCZKVFQ-UHFFFAOYSA-N
MW685.97 g/mol
LogP12.81
Rot. Bonds5

About 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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

9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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 (PubChem CID 161327536) has the molecular formula C48H35NSSi and a molecular weight of 685.97 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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
PubChem CID161327536
Molecular FormulaC48H35NSSi
Molecular Weight685.97 g/mol
Exact Mass685.23
IUPAC Name9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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
SMILESC[Si]1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C48H35NSSi/c1-51(2)45-29-27-41-40-22-11-12-23-44(40)50-48(41)47(45)42-25-24-36(31-46(42)51)49(35-19-13-18-34(30-35)32-14-5-3-6-15-32)43-28-26-37(33-16-7-4-8-17-33)38-20-9-10-21-39(38)43/h3-31H,1-2H3
InChIKeyVGSZFAUPCZKVFQ-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 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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 with MolForge

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Related Compounds

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-(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,9-diphenylcarbazol-1-amine
CID 161201446
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-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
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-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
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
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
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,N-bis(4-dibenzothiophen-4-ylphenyl)-4-[4-(3,5-diphenylphenyl)phenyl]naphthalen-1-amine
CID 88988857
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 171434495

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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?
The IUPAC name of 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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 161327536) is 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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 is C[Si]1(C)c2cc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccccc4)c4ccccc34)ccc2-c2c1ccc1c2sc2ccccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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?
The InChIKey is VGSZFAUPCZKVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NSSi/c1-51(2)45-29-27-41-40-22-11-12-23-44(40)50-48(41)47(45)42-25-24-36(31-46(42)51)49(35-19-13-18-34(30-35)32-14-5-3-6-15-32)43-28-26-37(33-16-7-4-8-17-33)38-20-9-10-21-39(38)43/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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?
9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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 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 9,9-dimethyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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 is sourced from PubChem (CID 161327536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).