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

C51H43NSSi2 — CID 174022261

IUPACN-[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
SMILESCc1c(-c2ccccc2[SiH](C)C)cccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2c(c1)[Si](C)(C)c1ccc3sc4ccccc4c3c1-2
InChIInChI=1S/C51H43NSSi2/c1-33-38(41-17-9-11-23-47(41)54(2)3)19-13-21-44(33)52(36-26-24-35(25-27-36)40-20-12-15-34-14-6-7-16-39(34)40)37-28-29-43-49(32-37)55(4,5)48-31-30-46-50(51(43)48)42-18-8-10-22-45(42)53-46/h6-32,54H,1-5H3
InChIKeyQGKZPWHLXFCFPR-UHFFFAOYSA-N
MW758.15 g/mol
LogP12.82
Rot. Bonds6

About 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

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 (PubChem CID 174022261) has the molecular formula C51H43NSSi2 and a molecular weight of 758.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID174022261
Molecular FormulaC51H43NSSi2
Molecular Weight758.15 g/mol
Exact Mass757.27
IUPAC NameN-[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
SMILESCc1c(-c2ccccc2[SiH](C)C)cccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2c(c1)[Si](C)(C)c1ccc3sc4ccccc4c3c1-2
InChIInChI=1S/C51H43NSSi2/c1-33-38(41-17-9-11-23-47(41)54(2)3)19-13-21-44(33)52(36-26-24-35(25-27-36)40-20-12-15-34-14-6-7-16-39(34)40)37-28-29-43-49(32-37)55(4,5)48-31-30-46-50(51(43)48)42-18-8-10-22-45(42)53-46/h6-32,54H,1-5H3
InChIKeyQGKZPWHLXFCFPR-UHFFFAOYSA-N
XLogP12.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.15
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-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-(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-(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-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-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
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
14,14-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-9-thiapentacyclo[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 157246234
9,9,21,21-tetramethyl-6-N,18-N-dinaphthalen-1-yl-6-N,18-N-diphenyl-9,21-disilahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 59181985
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,9-diphenylcarbazol-2-amine
CID 164937715
N-dibenzofuran-1-yl-20,20-dimethyl-N-(4-naphthalen-2-ylphenyl)-9-oxa-20-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;20,20-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-9-oxa-20-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;20,20-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-oxa-20-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;20,20-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-thia-20-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine
CID 165095565

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccccc2[SiH](C)C)cccc1N(c1ccc(-c2cccc3ccccc23)cc1)c1ccc2c(c1)[Si](C)(C)c1ccc3sc4ccccc4c3c1-2.
What is the InChIKey of 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?
The InChIKey is QGKZPWHLXFCFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43NSSi2/c1-33-38(41-17-9-11-23-47(41)54(2)3)19-13-21-44(33)52(36-26-24-35(25-27-36)40-20-12-15-34-14-6-7-16-39(34)40)37-28-29-43-49(32-37)55(4,5)48-31-30-46-50(51(43)48)42-18-8-10-22-45(42)53-46/h6-32,54H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 758.15 g/mol, XLogP of 12.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174022261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).