17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

C31H22OSi — CID 149181119

IUPAC17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc3oc4ccccc4c3cc1-2
InChIInChI=1S/C31H22OSi/c1-21-16-17-25-27-19-26-24-14-8-9-15-28(24)32-29(26)20-31(27)33(30(25)18-21,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20H,1H3
InChIKeyXAZAFSFWIMFWLJ-UHFFFAOYSA-N
MW438.60 g/mol
LogP5.25
Rot. Bonds2

About 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene

17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (PubChem CID 149181119) has the molecular formula C31H22OSi and a molecular weight of 438.60 g/mol. Its IUPAC name is 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
PubChem CID149181119
Molecular FormulaC31H22OSi
Molecular Weight438.60 g/mol
Exact Mass438.14
IUPAC Name17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
SMILESCc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc3oc4ccccc4c3cc1-2
InChIInChI=1S/C31H22OSi/c1-21-16-17-25-27-19-26-24-14-8-9-15-28(24)32-29(26)20-31(27)33(30(25)18-21,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20H,1H3
InChIKeyXAZAFSFWIMFWLJ-UHFFFAOYSA-N
XLogP5.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.60
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 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

7,7,9-trimethylfluoreno[2,3-b][1]benzofuran
CID 129267055
9-methyl-11,11-diphenylphenanthro[1,2-b][1]benzosilole
CID 153488459
2,3-diphenyldibenzofuran
CID 12699263
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
spiro[6,27-dioxa-2-silaheptacyclo[16.11.0.03,15.05,13.07,12.020,28.021,26]nonacosa-1(29),3,5(13),7,9,11,14,16,18,20(28),21,23,25-tridecaene-2,5'-benzo[b][1]benzosilole]
CID 155647198
2,3,7,8-tetramethyl-5,5-diphenylbenzo[b][1]benzosilole
CID 59096237
16,25-dimethyl-17,24-bis(2-methylphenyl)-5,36-dioxanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15(20),16,18,21(26),22,24,28,30,32,34,37-octadecaene
CID 146383193
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)phenyl]-2-phenylpyrimidine
CID 171584528
14-(3-methylphenyl)-14-phenyl-10-thia-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 147689872
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
CID 153488427
2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 177278267

Frequently Asked Questions

What is the IUPAC name of 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The IUPAC name of 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene (CID 149181119) is 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene.
What is the SMILES notation for 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The canonical SMILES for 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1cc3oc4ccccc4c3cc1-2.
What is the InChIKey of 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
The InChIKey is XAZAFSFWIMFWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22OSi/c1-21-16-17-25-27-19-26-24-14-8-9-15-28(24)32-29(26)20-31(27)33(30(25)18-21,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-20H,1H3.
What are the key properties of 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene?
17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene has a molecular weight of 438.60 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-14,14-diphenyl-10-oxa-14-silapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 149181119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).