12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene

C35H25NSi — CID 140775315

IUPAC12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene
SMILESCn1c2cc3c(cc2c2cc4ccccc4cc21)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H25NSi/c1-36-32-21-25-13-9-8-12-24(25)20-29(32)30-22-31-28-18-10-11-19-34(28)37(35(31)23-33(30)36,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3
InChIKeyJJUWMODADPDQGX-UHFFFAOYSA-N
MW487.68 g/mol
LogP5.84
Rot. Bonds2

About 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene

12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene (PubChem CID 140775315) has the molecular formula C35H25NSi and a molecular weight of 487.68 g/mol. Its IUPAC name is 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene
PubChem CID140775315
Molecular FormulaC35H25NSi
Molecular Weight487.68 g/mol
Exact Mass487.18
IUPAC Name12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene
SMILESCn1c2cc3c(cc2c2cc4ccccc4cc21)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H25NSi/c1-36-32-21-25-13-9-8-12-24(25)20-29(32)30-22-31-28-18-10-11-19-34(28)37(35(31)23-33(30)36,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3
InChIKeyJJUWMODADPDQGX-UHFFFAOYSA-N
XLogP5.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.68
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene 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

5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
10-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-methylbenzo[c]carbazole
CID 140775284
8,8-diphenyl-8-silatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 59718161
2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5-methylbenzo[b]carbazole;3-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-5-methylbenzo[b]carbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-5-methylbenzo[b]carbazole;3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-5-methylbenzo[b]carbazole;5-methyl-3-(5-phenylbenzo[b]phosphindol-3-yl)benzo[b]carbazole
CID 158148586
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole
CID 90337243
7-methyl-5,5-diphenylanthra[2,1-b][1]benzosilole
CID 153488362
14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 140775274
8,8,24-triphenyl-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene
CID 177069958
5-(2-methylphenyl)-5-phenylbenzo[b][1]benzosilole
CID 58711206
18-methyl-10,10-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 153488342
9-[4-carbazol-9-yl-6-(14,14-diphenyl-14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]carbazole
CID 177069984

Frequently Asked Questions

What is the IUPAC name of 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene?
The IUPAC name of 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene (CID 140775315) is 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene.
What is the SMILES notation for 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene?
The canonical SMILES for 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene is Cn1c2cc3c(cc2c2cc4ccccc4cc21)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1.
What is the InChIKey of 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene?
The InChIKey is JJUWMODADPDQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25NSi/c1-36-32-21-25-13-9-8-12-24(25)20-29(32)30-22-31-28-18-10-11-19-34(28)37(35(31)23-33(30)36,26-14-4-2-5-15-26)27-16-6-3-7-17-27/h2-23H,1H3.
What are the key properties of 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene?
12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene has a molecular weight of 487.68 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-16,16-diphenyl-12-aza-16-silahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 140775315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).