[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

C51H35N5Si — CID 153495116

IUPAC[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C51H35N5Si/c1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)40-26-18-19-36(35-40)49-52-50(55-45-31-14-10-27-41(45)42-28-11-15-32-46(42)55)54-51(53-49)56-47-33-16-12-29-43(47)44-30-13-17-34-48(44)56/h1-35H
InChIKeyMZZBVCAAWVBQJO-UHFFFAOYSA-N
MW745.96 g/mol
LogP9.11
Rot. Bonds7

About [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane

[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (PubChem CID 153495116) has the molecular formula C51H35N5Si and a molecular weight of 745.96 g/mol. Its IUPAC name is [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
PubChem CID153495116
Molecular FormulaC51H35N5Si
Molecular Weight745.96 g/mol
Exact Mass745.27
IUPAC Name[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C51H35N5Si/c1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)40-26-18-19-36(35-40)49-52-50(55-45-31-14-10-27-41(45)42-28-11-15-32-46(42)55)54-51(53-49)56-47-33-16-12-29-43(47)44-30-13-17-34-48(44)56/h1-35H
InChIKeyMZZBVCAAWVBQJO-UHFFFAOYSA-N
XLogP9.11
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.96
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane (CID 153495116) is [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
The InChIKey is MZZBVCAAWVBQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N5Si/c1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)40-26-18-19-36(35-40)49-52-50(55-45-31-14-10-27-41(45)42-28-11-15-32-46(42)55)54-51(53-49)56-47-33-16-12-29-43(47)44-30-13-17-34-48(44)56/h1-35H.
What are the key properties of [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane?
[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane has a molecular weight of 745.96 g/mol, XLogP of 9.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 153495116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).