10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline

C32H25N3Si — CID 140809363

IUPAC10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3cccnc34)cc2)c2ccccc21
InChIInChI=1S/C32H25N3Si/c1-36(2)29-11-5-3-9-27(29)35(28-10-4-6-12-30(28)36)24-16-13-22(14-17-24)25-19-21-34-32-26(25)18-15-23-8-7-20-33-31(23)32/h3-21H,1-2H3
InChIKeyXUVXUDJSBUNJHA-UHFFFAOYSA-N
MW479.66 g/mol
LogP7.06
Rot. Bonds2

About 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline

10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline (PubChem CID 140809363) has the molecular formula C32H25N3Si and a molecular weight of 479.66 g/mol. Its IUPAC name is 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline
PubChem CID140809363
Molecular FormulaC32H25N3Si
Molecular Weight479.66 g/mol
Exact Mass479.18
IUPAC Name10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3cccnc34)cc2)c2ccccc21
InChIInChI=1S/C32H25N3Si/c1-36(2)29-11-5-3-9-27(29)35(28-10-4-6-12-30(28)36)24-16-13-22(14-17-24)25-19-21-34-32-26(25)18-15-23-8-7-20-33-31(23)32/h3-21H,1-2H3
InChIKeyXUVXUDJSBUNJHA-UHFFFAOYSA-N
XLogP7.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.66
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[4-(9,9-dimethylacridin-10-yl)phenyl]-7-phenyl-1,10-phenanthroline
CID 130396225
5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140856453
4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 160846068
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-2-yl-10-phenylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220980
4-[6-[4-[6-(1,10-phenanthrolin-4-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 137484448
4-(2-methylquinolin-6-yl)-1,10-phenanthroline
CID 145180172
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220514
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(4-methylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220400
4-(6-methylnaphthalen-2-yl)-1,10-phenanthroline
CID 145180186
10-[4-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]benzo[h]quinazolin-2-yl]phenyl]phenoxazine
CID 140809392
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-(3,5-dimethylphenyl)-10-naphthalen-2-ylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220475

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline?
The IUPAC name of 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline (CID 140809363) is 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline.
What is the SMILES notation for 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline?
The canonical SMILES for 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline is C[Si]1(C)c2ccccc2N(c2ccc(-c3ccnc4c3ccc3cccnc34)cc2)c2ccccc21.
What is the InChIKey of 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline?
The InChIKey is XUVXUDJSBUNJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3Si/c1-36(2)29-11-5-3-9-27(29)35(28-10-4-6-12-30(28)36)24-16-13-22(14-17-24)25-19-21-34-32-26(25)18-15-23-8-7-20-33-31(23)32/h3-21H,1-2H3.
What are the key properties of 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline?
10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline has a molecular weight of 479.66 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-5-[4-(1,10-phenanthrolin-4-yl)phenyl]benzo[b][1,4]benzazasiline is sourced from PubChem (CID 140809363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).