(1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane

C38H31N2Si+ — CID 21342169

IUPAC(1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane
SMILESC1=[N+](c2ccccc2)CN(c2ccccc2)c2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H31N2Si/c1-6-18-32(19-7-1)39-29-31-17-16-28-37(38(31)40(30-39)33-20-8-2-9-21-33)41(34-22-10-3-11-23-34,35-24-12-4-13-25-35)36-26-14-5-15-27-36/h1-29H,30H2/q+1
InChIKeyCRDYOYWCKCZOTG-UHFFFAOYSA-N
MW543.77 g/mol
LogP5.94
Rot. Bonds6

About (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane

(1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane (PubChem CID 21342169) has the molecular formula C38H31N2Si+ and a molecular weight of 543.77 g/mol. Its IUPAC name is (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane.

Molecular Properties

Compound Name(1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane
PubChem CID21342169
Molecular FormulaC38H31N2Si+
Molecular Weight543.77 g/mol
Exact Mass543.23
IUPAC Name(1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane
SMILESC1=[N+](c2ccccc2)CN(c2ccccc2)c2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H31N2Si/c1-6-18-32(19-7-1)39-29-31-17-16-28-37(38(31)40(30-39)33-20-8-2-9-21-33)41(34-22-10-3-11-23-34,35-24-12-4-13-25-35)36-26-14-5-15-27-36/h1-29H,30H2/q+1
InChIKeyCRDYOYWCKCZOTG-UHFFFAOYSA-N
XLogP5.94
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.77
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

triphenyl-(3-phenyl-2H-1,3-benzoxazin-3-ium-8-yl)silane
CID 22968880
3-(9H-fluoren-1-yl)-1-phenyl-2H-quinazolin-3-ium
CID 21342510
triphenyl-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170515887
trimethyl-(2-triphenylsilylphenyl)silane
CID 91070759
[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
CID 158933010
8-ethynyl-3-phenyl-2H-1,3-benzothiazin-3-ium
CID 21342672
N,N-dimethyl-3-phenyl-2H-1,3-benzoxazin-3-ium-8-amine
CID 22968868
(5,12-diphenylindolo[3,2-c]carbazol-11-yl)-triphenylsilane
CID 172534521
3-[(3-aminophenyl)-diphenylsilyl]aniline
CID 139628514
trimethyl-(3-phenyl-1-trimethylsilyl-2H-quinazoline-1,3-diium-1-yl)silane
CID 21343063
diphenyl-(9-phenylcarbazol-1-yl)-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 140842619
[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
CID 158834822

Frequently Asked Questions

What is the IUPAC name of (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane?
The IUPAC name of (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane (CID 21342169) is (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane.
What is the SMILES notation for (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane?
The canonical SMILES for (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane is C1=[N+](c2ccccc2)CN(c2ccccc2)c2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane?
The InChIKey is CRDYOYWCKCZOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N2Si/c1-6-18-32(19-7-1)39-29-31-17-16-28-37(38(31)40(30-39)33-20-8-2-9-21-33)41(34-22-10-3-11-23-34,35-24-12-4-13-25-35)36-26-14-5-15-27-36/h1-29H,30H2/q+1.
What are the key properties of (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane?
(1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane has a molecular weight of 543.77 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diphenyl-2H-quinazolin-3-ium-8-yl)-triphenylsilane is sourced from PubChem (CID 21342169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).