5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline

C42H30N4Si — CID 159082261

IUPAC5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESc1ccc(-c2nc3nc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccn3c2-c2ccccc2)cc1
InChIInChI=1S/C42H30N4Si/c1-5-17-31(18-6-1)40-41(32-19-7-2-8-20-32)45-30-29-39(43-42(45)44-40)46-35-25-13-15-27-37(35)47(33-21-9-3-10-22-33,34-23-11-4-12-24-34)38-28-16-14-26-36(38)46/h1-30H
InChIKeyZZLPINFQBGSDEI-UHFFFAOYSA-N
MW618.82 g/mol
LogP7.22
Rot. Bonds5

About 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline

5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline (PubChem CID 159082261) has the molecular formula C42H30N4Si and a molecular weight of 618.82 g/mol. Its IUPAC name is 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline.

Molecular Properties

Compound Name5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
PubChem CID159082261
Molecular FormulaC42H30N4Si
Molecular Weight618.82 g/mol
Exact Mass618.22
IUPAC Name5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline
SMILESc1ccc(-c2nc3nc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccn3c2-c2ccccc2)cc1
InChIInChI=1S/C42H30N4Si/c1-5-17-31(18-6-1)40-41(32-19-7-2-8-20-32)45-30-29-39(43-42(45)44-40)46-35-25-13-15-27-37(35)47(33-21-9-3-10-22-33,34-23-11-4-12-24-34)38-28-16-14-26-36(38)46/h1-30H
InChIKeyZZLPINFQBGSDEI-UHFFFAOYSA-N
XLogP7.22
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole
CID 159785437
10-naphthalen-2-yl-5-[6-[3-(10-naphthalen-2-yl-10-phenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-2-pyridinyl]-10-phenylbenzo[b][1,4]benzazasiline
CID 123190786
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
7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
CID 69376905
[3-[4-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-triphenylsilylphenyl]-triphenylsilane
CID 162485349
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
6-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]pyridine-2-carbonitrile
CID 153487895
5,10-diphenyl-2-pyridin-2-yl-10-(3-pyridin-2-ylphenyl)benzo[b][1,4]benzazasiline
CID 140752665
6-[3-[3-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 153487840
15-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)tetracyclo[8.7.0.02,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-17-one
CID 155645556
2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine
CID 90362578
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

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline?
The IUPAC name of 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline (CID 159082261) is 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline.
What is the SMILES notation for 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline?
The canonical SMILES for 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline is c1ccc(-c2nc3nc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccn3c2-c2ccccc2)cc1.
What is the InChIKey of 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline?
The InChIKey is ZZLPINFQBGSDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4Si/c1-5-17-31(18-6-1)40-41(32-19-7-2-8-20-32)45-30-29-39(43-42(45)44-40)46-35-25-13-15-27-37(35)47(33-21-9-3-10-22-33,34-23-11-4-12-24-34)38-28-16-14-26-36(38)46/h1-30H.
What are the key properties of 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline?
5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline has a molecular weight of 618.82 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-10,10-diphenylbenzo[b][1,4]benzazasiline is sourced from PubChem (CID 159082261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).