5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline

C72H56N6Si2 — CID 140793735

IUPAC5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc21
InChIInChI=1S/C72H56N6Si2/c1-79(2)67-37-21-17-33-63(67)77(64-34-18-22-38-68(64)79)53-41-43-55(57(45-53)61-47-59(49-25-9-5-10-26-49)73-71(75-61)51-29-13-7-14-30-51)56-44-42-54(78-65-35-19-23-39-69(65)80(3,4)70-40-24-20-36-66(70)78)46-58(56)62-48-60(50-27-11-6-12-28-50)74-72(76-62)52-31-15-8-16-32-52/h5-48H,1-4H3
InChIKeyQSGFEFONKNTENK-UHFFFAOYSA-N
MW1061.45 g/mol
LogP16.15
Rot. Bonds9

About 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline

5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 140793735) has the molecular formula C72H56N6Si2 and a molecular weight of 1061.45 g/mol. Its IUPAC name is 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
PubChem CID140793735
Molecular FormulaC72H56N6Si2
Molecular Weight1061.45 g/mol
Exact Mass1060.41
IUPAC Name5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc21
InChIInChI=1S/C72H56N6Si2/c1-79(2)67-37-21-17-33-63(67)77(64-34-18-22-38-68(64)79)53-41-43-55(57(45-53)61-47-59(49-25-9-5-10-26-49)73-71(75-61)51-29-13-7-14-30-51)56-44-42-54(78-65-35-19-23-39-69(65)80(3,4)70-40-24-20-36-66(70)78)46-58(56)62-48-60(50-27-11-6-12-28-50)74-72(76-62)52-31-15-8-16-32-52/h5-48H,1-4H3
InChIKeyQSGFEFONKNTENK-UHFFFAOYSA-N
XLogP16.15
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.45
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline with MolForge

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Related Compounds

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
5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793750
5-[5-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-3,7-bis(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793863
10-[4-[4-(9H-acridin-10-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenothiazine
CID 129291751
10-[4,8-bis(4,6-diphenylpyrimidin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine;10-[6-(9,9-dimethylacridin-10-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylacridine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 158798738
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140793866
5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline;10-[4-[4-phenoxazin-10-yl-2-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 161045076
10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216161
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
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 153460425
2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 157286611
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216057

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 140793735) is 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline is C[Si]1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc21.
What is the InChIKey of 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The InChIKey is QSGFEFONKNTENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N6Si2/c1-79(2)67-37-21-17-33-63(67)77(64-34-18-22-38-68(64)79)53-41-43-55(57(45-53)61-47-59(49-25-9-5-10-26-49)73-71(75-61)51-29-13-7-14-30-51)56-44-42-54(78-65-35-19-23-39-69(65)80(3,4)70-40-24-20-36-66(70)78)46-58(56)62-48-60(50-27-11-6-12-28-50)74-72(76-62)52-31-15-8-16-32-52/h5-48H,1-4H3.
What are the key properties of 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 1061.45 g/mol, XLogP of 16.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 140793735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).