[3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone

C48H40N2O2Si2 — CID 140938038

IUPAC[3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone
SMILESC[Si]1(C)c2ccccc2N(c2ccc(C(=O)c3cccc(C(=O)c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)c3)cc2)c2ccccc21
InChIInChI=1S/C48H40N2O2Si2/c1-53(2)43-20-9-5-16-39(43)49(40-17-6-10-21-44(40)53)37-28-24-33(25-29-37)47(51)35-14-13-15-36(32-35)48(52)34-26-30-38(31-27-34)50-41-18-7-11-22-45(41)54(3,4)46-23-12-8-19-42(46)50/h5-32H,1-4H3
InChIKeyTUWAPIHTGSJYTN-UHFFFAOYSA-N
MW733.03 g/mol
LogP9.36
Rot. Bonds6

About [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone

[3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone (PubChem CID 140938038) has the molecular formula C48H40N2O2Si2 and a molecular weight of 733.03 g/mol. Its IUPAC name is [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone
PubChem CID140938038
Molecular FormulaC48H40N2O2Si2
Molecular Weight733.03 g/mol
Exact Mass732.26
IUPAC Name[3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone
SMILESC[Si]1(C)c2ccccc2N(c2ccc(C(=O)c3cccc(C(=O)c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)c3)cc2)c2ccccc21
InChIInChI=1S/C48H40N2O2Si2/c1-53(2)43-20-9-5-16-39(43)49(40-17-6-10-21-44(40)53)37-28-24-33(25-29-37)47(51)35-14-13-15-36(32-35)48(52)34-26-30-38(31-27-34)50-41-18-7-11-22-45(41)54(3,4)46-23-12-8-19-42(46)50/h5-32H,1-4H3
InChIKeyTUWAPIHTGSJYTN-UHFFFAOYSA-N
XLogP9.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.03
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone with MolForge

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Related Compounds

(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone
CID 168665191
4,15-bis(4-carbazol-9-ylphenyl)-11,11,22,22-tetramethyl-4,15-diaza-11,22-disilapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,5,7,9,12,16,18,20-nonaene
CID 140937971
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,10-diphenylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220362
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
3-(3-carboxybenzoyl)benzoic acid
CID 754396
1-(3-benzoylphenyl)-2-methylprop-2-en-1-one
CID 173413360

Frequently Asked Questions

What is the IUPAC name of [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone?
The IUPAC name of [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone (CID 140938038) is [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone.
What is the SMILES notation for [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone?
The canonical SMILES for [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone is C[Si]1(C)c2ccccc2N(c2ccc(C(=O)c3cccc(C(=O)c4ccc(N5c6ccccc6[Si](C)(C)c6ccccc65)cc4)c3)cc2)c2ccccc21.
What is the InChIKey of [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone?
The InChIKey is TUWAPIHTGSJYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2O2Si2/c1-53(2)43-20-9-5-16-39(43)49(40-17-6-10-21-44(40)53)37-28-24-33(25-29-37)47(51)35-14-13-15-36(32-35)48(52)34-26-30-38(31-27-34)50-41-18-7-11-22-45(41)54(3,4)46-23-12-8-19-42(46)50/h5-32H,1-4H3.
What are the key properties of [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone?
[3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone has a molecular weight of 733.03 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)benzoyl]phenyl]-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]methanone is sourced from PubChem (CID 140938038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).