5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

C70H54N6Si2 — CID 140793855

IUPAC5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c2ccccc21
InChIInChI=1S/C70H54N6Si2/c1-77(2)65-37-21-17-33-61(65)75(62-34-18-22-38-66(62)77)51-41-53-54(55(43-51)59-45-57(47-25-9-5-10-26-47)71-69(73-59)49-29-13-7-14-30-49)42-52(76-63-35-19-23-39-67(63)78(3,4)68-40-24-20-36-64(68)76)44-56(53)60-46-58(48-27-11-6-12-28-48)72-70(74-60)50-31-15-8-16-32-50/h5-46H,1-4H3
InChIKeyWYQFHABFWHZRDU-UHFFFAOYSA-N
MW1035.42 g/mol
LogP15.63
Rot. Bonds8

About 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline

5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (PubChem CID 140793855) has the molecular formula C70H54N6Si2 and a molecular weight of 1035.42 g/mol. Its IUPAC name is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
PubChem CID140793855
Molecular FormulaC70H54N6Si2
Molecular Weight1035.42 g/mol
Exact Mass1034.39
IUPAC Name5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
SMILESC[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c2ccccc21
InChIInChI=1S/C70H54N6Si2/c1-77(2)65-37-21-17-33-61(65)75(62-34-18-22-38-66(62)77)51-41-53-54(55(43-51)59-45-57(47-25-9-5-10-26-47)71-69(73-59)49-29-13-7-14-30-49)42-52(76-63-35-19-23-39-67(63)78(3,4)68-40-24-20-36-64(68)76)44-56(53)60-46-58(48-27-11-6-12-28-48)72-70(74-60)50-31-15-8-16-32-50/h5-46H,1-4H3
InChIKeyWYQFHABFWHZRDU-UHFFFAOYSA-N
XLogP15.63
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.42
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline (CID 140793855) is 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is C[Si]1(C)c2ccccc2N(c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c3cc(N4c5ccccc5[Si](C)(C)c5ccccc54)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c2ccccc21.
What is the InChIKey of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
The InChIKey is WYQFHABFWHZRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N6Si2/c1-77(2)65-37-21-17-33-61(65)75(62-34-18-22-38-66(62)77)51-41-53-54(55(43-51)59-45-57(47-25-9-5-10-26-47)71-69(73-59)49-29-13-7-14-30-49)42-52(76-63-35-19-23-39-67(63)78(3,4)68-40-24-20-36-64(68)76)44-56(53)60-46-58(48-27-11-6-12-28-48)72-70(74-60)50-31-15-8-16-32-50/h5-46H,1-4H3.
What are the key properties of 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline?
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline has a molecular weight of 1035.42 g/mol, XLogP of 15.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 140793855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).