CID 174068644

C50H43N3OSi3 — CID 174068644

IUPAC—
SMILESCCC[Si]C1([Si]CCC)c2ccccc2Oc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C50H43N3OSi3/c1-3-33-55-50(56-34-4-2)40-25-11-16-31-46(40)54-48-41(50)26-18-32-47(48)57(37-20-7-5-8-21-37,38-22-9-6-10-23-38)39-24-17-19-36(35-39)52-44-29-14-15-30-45(44)53-43-28-13-12-27-42(43)51-49(52)53/h5-32,35H,3-4,33-34H2,1-2H3
InChIKeyDHENJZWRXSKFNG-UHFFFAOYSA-N
MW786.17 g/mol
LogP9.18
Rot. Bonds11

About CID 174068644

CID 174068644 (PubChem CID 174068644) has the molecular formula C50H43N3OSi3 and a molecular weight of 786.17 g/mol.

Molecular Properties

Compound NameCID 174068644
PubChem CID174068644
Molecular FormulaC50H43N3OSi3
Molecular Weight786.17 g/mol
Exact Mass785.27
IUPAC Name—
SMILESCCC[Si]C1([Si]CCC)c2ccccc2Oc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1
InChIInChI=1S/C50H43N3OSi3/c1-3-33-55-50(56-34-4-2)40-25-11-16-31-46(40)54-48-41(50)26-18-32-47(48)57(37-20-7-5-8-21-37,38-22-9-6-10-23-38)39-24-17-19-36(35-39)52-44-29-14-15-30-45(44)53-43-28-13-12-27-42(43)51-49(52)53/h5-32,35H,3-4,33-34H2,1-2H3
InChIKeyDHENJZWRXSKFNG-UHFFFAOYSA-N
XLogP9.18
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.17
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 174068643
CID 174068643
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9,9-bis[1,1,4,4,4-pentadeuterio-3-methyl-3-(trideuteriomethyl)butyl]xanthen-4-yl]-diphenylsilane
CID 158938346
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9,9-bis[dideuterio(pyrazol-1-yl)methyl]xanthen-4-yl]-diphenylsilane
CID 168793053
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9,9-bis(1,3-thiazol-2-ylmethyl)xanthen-4-yl]-diphenylsilane
CID 174068621
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9,9-bis[(2,6-diphenylpyrimidin-4-yl)-dimethylsilyl]xanthen-4-yl]-diphenylsilane
CID 174068674
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9,9-bis[dideuterio-(4,6-diphenylpyrimidin-2-yl)methyl]xanthen-4-yl]-diphenylsilane
CID 168793198
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane
CID 161279212
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9,9-bis[1,3-thiazol-2-yl-bis(trideuteriomethyl)silyl]xanthen-4-yl]-diphenylsilane
CID 167413434
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9-[dideuterio(2,2-dimethylpropyl)silyl]-9-[dideuterio-(3,3,3-trifluoro-2,2-dimethylpropyl)silyl]xanthen-4-yl]-diphenylsilane
CID 162146930
[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-pyridinyl]-[9,9-bis(trideuteriomethyl)xanthen-4-yl]-diphenylsilane
CID 168793112
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[10,10-bis[tris(trideuteriomethyl)silyl]benzo[b][1,4]benzoxasilin-4-yl]-diphenylsilane
CID 168793011
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[9-[methyl-(1,3-oxazol-2-yl)-(trideuteriomethyl)silyl]-9-[1,2,4-oxadiazol-5-yl-bis(trideuteriomethyl)silyl]xanthen-4-yl]-diphenylsilane
CID 161018352

Frequently Asked Questions

What is the IUPAC name of CID 174068644?
The IUPAC name of CID 174068644 (CID 174068644) is not available.
What is the SMILES notation for CID 174068644?
The canonical SMILES for CID 174068644 is CCC[Si]C1([Si]CCC)c2ccccc2Oc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1.
What is the InChIKey of CID 174068644?
The InChIKey is DHENJZWRXSKFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N3OSi3/c1-3-33-55-50(56-34-4-2)40-25-11-16-31-46(40)54-48-41(50)26-18-32-47(48)57(37-20-7-5-8-21-37,38-22-9-6-10-23-38)39-24-17-19-36(35-39)52-44-29-14-15-30-45(44)53-43-28-13-12-27-42(43)51-49(52)53/h5-32,35H,3-4,33-34H2,1-2H3.
What are the key properties of CID 174068644?
CID 174068644 has a molecular weight of 786.17 g/mol, XLogP of 9.18, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174068644 is sourced from PubChem (CID 174068644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).