CID 166012437

C48H32NO2Si2 — CID 166012437

IUPAC—
SMILESc1ccc([Si]2c3ccccc3[Si]3(c4ccccc4Oc4ccccc43)c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C48H32NO2Si2/c1-2-14-36(15-3-1)52-43-22-10-13-25-47(43)53(45-23-11-8-20-41(45)51-42-21-9-12-24-46(42)53)48-32-34(28-31-44(48)52)33-26-29-35(30-27-33)49-37-16-4-6-18-39(37)50-40-19-7-5-17-38(40)49/h1-32H
InChIKeyLHUZXDKSVCMWJO-UHFFFAOYSA-N
MW710.96 g/mol
LogP7.24
Rot. Bonds3

About CID 166012437

CID 166012437 (PubChem CID 166012437) has the molecular formula C48H32NO2Si2 and a molecular weight of 710.96 g/mol.

Molecular Properties

Compound NameCID 166012437
PubChem CID166012437
Molecular FormulaC48H32NO2Si2
Molecular Weight710.96 g/mol
Exact Mass710.20
IUPAC Name—
SMILESc1ccc([Si]2c3ccccc3[Si]3(c4ccccc4Oc4ccccc43)c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C48H32NO2Si2/c1-2-14-36(15-3-1)52-43-22-10-13-25-47(43)53(45-23-11-8-20-41(45)51-42-21-9-12-24-46(42)53)48-32-34(28-31-44(48)52)33-26-29-35(30-27-33)49-37-16-4-6-18-39(37)50-40-19-7-5-17-38(40)49/h1-32H
InChIKeyLHUZXDKSVCMWJO-UHFFFAOYSA-N
XLogP7.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.96
LogP ≤ 57.24
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 166012477
CID 166012477
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
CID 166012545
CID 166012545
ethane;10-phenylphenoxazine
CID 123756019
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
19,25-diphenyl-8,22,36-trioxa-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(21),17,19,23(28),24,26,30,32,34,37,39,41-octadecaene
CID 155625105
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598

Frequently Asked Questions

What is the IUPAC name of CID 166012437?
The IUPAC name of CID 166012437 (CID 166012437) is not available.
What is the SMILES notation for CID 166012437?
The canonical SMILES for CID 166012437 is c1ccc([Si]2c3ccccc3[Si]3(c4ccccc4Oc4ccccc43)c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of CID 166012437?
The InChIKey is LHUZXDKSVCMWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32NO2Si2/c1-2-14-36(15-3-1)52-43-22-10-13-25-47(43)53(45-23-11-8-20-41(45)51-42-21-9-12-24-46(42)53)48-32-34(28-31-44(48)52)33-26-29-35(30-27-33)49-37-16-4-6-18-39(37)50-40-19-7-5-17-38(40)49/h1-32H.
What are the key properties of CID 166012437?
CID 166012437 has a molecular weight of 710.96 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166012437 is sourced from PubChem (CID 166012437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).