CID 140690771

C42H28NOSi — CID 140690771

IUPAC—
SMILESc1ccc(-c2ccc3cccc(-c4cc5c6c(ccc5o4)-c4ccccc4C6[Si](c4ccccc4)c4ccccc4)c3n2)cc1
InChIInChI=1S/C42H28NOSi/c1-4-13-28(14-5-1)37-25-23-29-15-12-22-35(41(29)43-37)39-27-36-38(44-39)26-24-33-32-20-10-11-21-34(32)42(40(33)36)45(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-27,42H
InChIKeyWWQITLLPGYDTNQ-UHFFFAOYSA-N
MW590.78 g/mol
LogP9.28
Rot. Bonds5

About CID 140690771

CID 140690771 (PubChem CID 140690771) has the molecular formula C42H28NOSi and a molecular weight of 590.78 g/mol.

Molecular Properties

Compound NameCID 140690771
PubChem CID140690771
Molecular FormulaC42H28NOSi
Molecular Weight590.78 g/mol
Exact Mass590.19
IUPAC Name—
SMILESc1ccc(-c2ccc3cccc(-c4cc5c6c(ccc5o4)-c4ccccc4C6[Si](c4ccccc4)c4ccccc4)c3n2)cc1
InChIInChI=1S/C42H28NOSi/c1-4-13-28(14-5-1)37-25-23-29-15-12-22-35(41(29)43-37)39-27-36-38(44-39)26-24-33-32-20-10-11-21-34(32)42(40(33)36)45(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-27,42H
InChIKeyWWQITLLPGYDTNQ-UHFFFAOYSA-N
XLogP9.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.78
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 140690457
CID 140690457
2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline
CID 146335944
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
2-phenylquinolin-8-olate
CID 22660489
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline
CID 90049952
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
CID 134596697
2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167381717

Frequently Asked Questions

What is the IUPAC name of CID 140690771?
The IUPAC name of CID 140690771 (CID 140690771) is not available.
What is the SMILES notation for CID 140690771?
The canonical SMILES for CID 140690771 is c1ccc(-c2ccc3cccc(-c4cc5c6c(ccc5o4)-c4ccccc4C6[Si](c4ccccc4)c4ccccc4)c3n2)cc1.
What is the InChIKey of CID 140690771?
The InChIKey is WWQITLLPGYDTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28NOSi/c1-4-13-28(14-5-1)37-25-23-29-15-12-22-35(41(29)43-37)39-27-36-38(44-39)26-24-33-32-20-10-11-21-34(32)42(40(33)36)45(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-27,42H.
What are the key properties of CID 140690771?
CID 140690771 has a molecular weight of 590.78 g/mol, XLogP of 9.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140690771 is sourced from PubChem (CID 140690771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).