CID 166012477

C42H28NOSSi2 — CID 166012477

IUPAC—
SMILESc1ccc([Si]2c3ccccc3[Si]3(c4ccccc4Oc4ccccc43)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)cc1
InChIInChI=1S/C42H28NOSSi2/c1-2-14-30(15-3-1)46-37-22-10-13-25-41(37)47(39-23-11-6-18-33(39)44-34-19-7-12-24-40(34)47)42-28-29(26-27-38(42)46)43-31-16-4-8-20-35(31)45-36-21-9-5-17-32(36)43/h1-28H
InChIKeyICPMRYKEQQZNMG-UHFFFAOYSA-N
MW650.93 g/mol
LogP5.93
Rot. Bonds2

About CID 166012477

CID 166012477 (PubChem CID 166012477) has the molecular formula C42H28NOSSi2 and a molecular weight of 650.93 g/mol.

Molecular Properties

Compound NameCID 166012477
PubChem CID166012477
Molecular FormulaC42H28NOSSi2
Molecular Weight650.93 g/mol
Exact Mass650.14
IUPAC Name—
SMILESc1ccc([Si]2c3ccccc3[Si]3(c4ccccc4Oc4ccccc43)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)cc1
InChIInChI=1S/C42H28NOSSi2/c1-2-14-30(15-3-1)46-37-22-10-13-25-41(37)47(39-23-11-6-18-33(39)44-34-19-7-12-24-40(34)47)42-28-29(26-27-38(42)46)43-31-16-4-8-20-35(31)45-36-21-9-5-17-32(36)43/h1-28H
InChIKeyICPMRYKEQQZNMG-UHFFFAOYSA-N
XLogP5.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.93
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 166012437
CID 166012437
10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine
CID 160939064
9-spiro[benzo[b][1,4]benzothiasiline-10,10'-benzo[b][1,4]benzoxasiline]-2'-ylcarbazole
CID 147520153
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
9,9-dimethyl-10-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147956721
8,36-dioxa-22-thia-15,29-diaza-1-silanonacyclo[27.13.0.01,15.02,7.09,14.016,21.023,28.030,35.037,42]dotetraconta-2,4,6,9,11,13,16,18,20,23,25,27,30,32,34,37,39,41-octadecaene
CID 155625091
9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine
CID 157232639
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
2'-phenothiazin-10-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655975
CID 153320155
CID 153320155
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544

Frequently Asked Questions

What is the IUPAC name of CID 166012477?
The IUPAC name of CID 166012477 (CID 166012477) is not available.
What is the SMILES notation for CID 166012477?
The canonical SMILES for CID 166012477 is c1ccc([Si]2c3ccccc3[Si]3(c4ccccc4Oc4ccccc43)c3cc(N4c5ccccc5Sc5ccccc54)ccc32)cc1.
What is the InChIKey of CID 166012477?
The InChIKey is ICPMRYKEQQZNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28NOSSi2/c1-2-14-30(15-3-1)46-37-22-10-13-25-41(37)47(39-23-11-6-18-33(39)44-34-19-7-12-24-40(34)47)42-28-29(26-27-38(42)46)43-31-16-4-8-20-35(31)45-36-21-9-5-17-32(36)43/h1-28H.
What are the key properties of CID 166012477?
CID 166012477 has a molecular weight of 650.93 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166012477 is sourced from PubChem (CID 166012477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).