[3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane

C75H56N4Si3 — CID 162485349

IUPAC[3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane
SMILESc1ccc(-c2nc(-c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)n2)cc1
InChIInChI=1S/C75H56N4Si3/c1-10-32-57(33-11-1)73-76-74(78-75(77-73)79-69-50-28-30-52-71(69)82(65-46-24-8-25-47-65,66-48-26-9-27-49-66)72-53-31-29-51-70(72)79)58-54-67(80(59-34-12-2-13-35-59,60-36-14-3-15-37-60)61-38-16-4-17-39-61)56-68(55-58)81(62-40-18-5-19-41-62,63-42-20-6-21-43-63)64-44-22-7-23-45-64/h1-56H
InChIKeyRJPXVNLKINEUDD-UHFFFAOYSA-N
MW1097.56 g/mol
LogP9.12
Rot. Bonds13

About [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane

[3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane (PubChem CID 162485349) has the molecular formula C75H56N4Si3 and a molecular weight of 1097.56 g/mol. Its IUPAC name is [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane
PubChem CID162485349
Molecular FormulaC75H56N4Si3
Molecular Weight1097.56 g/mol
Exact Mass1096.38
IUPAC Name[3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane
SMILESc1ccc(-c2nc(-c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)n2)cc1
InChIInChI=1S/C75H56N4Si3/c1-10-32-57(33-11-1)73-76-74(78-75(77-73)79-69-50-28-30-52-71(69)82(65-46-24-8-25-47-65,66-48-26-9-27-49-66)72-53-31-29-51-70(72)79)58-54-67(80(59-34-12-2-13-35-59,60-36-14-3-15-37-60)61-38-16-4-17-39-61)56-68(55-58)81(62-40-18-5-19-41-62,63-42-20-6-21-43-63)64-44-22-7-23-45-64/h1-56H
InChIKeyRJPXVNLKINEUDD-UHFFFAOYSA-N
XLogP9.12
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.56
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 155622047
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2',8'-diphenylspiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 160908481
[3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 153495105
triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 155622091
5-[2-[4-[2-(5,5-diphenyl-10H-benzo[b][1]benzosilin-10-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 171444330
2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
CID 176643494
triphenyl-[9-[3-(8,14,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-8-yl)phenyl]-6-triphenylsilylcarbazol-3-yl]silane
CID 162768985
[3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 158387824
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylphenazine
CID 59194569
[3-[4-(9H-acridin-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-(3-isocyanophenyl)-diphenylsilane
CID 163555880
triphenyl-[9-(8,8,14,14-tetraphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-6-triphenylsilylcarbazol-3-yl]silane
CID 162769037
2-(5',5'-diphenylspiro[acridine-9,10'-benzo[b][1]benzosiline]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,4-dicarbonitrile
CID 149278610

Frequently Asked Questions

What is the IUPAC name of [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane?
The IUPAC name of [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane (CID 162485349) is [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane.
What is the SMILES notation for [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane?
The canonical SMILES for [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane is c1ccc(-c2nc(-c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)n2)cc1.
What is the InChIKey of [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane?
The InChIKey is RJPXVNLKINEUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H56N4Si3/c1-10-32-57(33-11-1)73-76-74(78-75(77-73)79-69-50-28-30-52-71(69)82(65-46-24-8-25-47-65,66-48-26-9-27-49-66)72-53-31-29-51-70(72)79)58-54-67(80(59-34-12-2-13-35-59,60-36-14-3-15-37-60)61-38-16-4-17-39-61)56-68(55-58)81(62-40-18-5-19-41-62,63-42-20-6-21-43-63)64-44-22-7-23-45-64/h1-56H.
What are the key properties of [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane?
[3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane has a molecular weight of 1097.56 g/mol, XLogP of 9.12, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane is sourced from PubChem (CID 162485349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).