[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane

C53H37NSi — CID 140759791

IUPAC[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H37NSi/c1-4-15-44(16-5-1)55(45-17-6-2-7-18-45,46-19-8-3-9-20-46)47-35-32-41(33-36-47)39-26-24-38(25-27-39)40-28-30-43(31-29-40)53-50-37-34-42-14-10-11-21-48(42)52(50)49-22-12-13-23-51(49)54-53/h1-37H
InChIKeyDWUJWAZUQYTAPV-UHFFFAOYSA-N
MW715.97 g/mol
LogP10.92
Rot. Bonds7

About [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane

[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane (PubChem CID 140759791) has the molecular formula C53H37NSi and a molecular weight of 715.97 g/mol. Its IUPAC name is [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane
PubChem CID140759791
Molecular FormulaC53H37NSi
Molecular Weight715.97 g/mol
Exact Mass715.27
IUPAC Name[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C53H37NSi/c1-4-15-44(16-5-1)55(45-17-6-2-7-18-45,46-19-8-3-9-20-46)47-35-32-41(33-36-47)39-26-24-38(25-27-39)40-28-30-43(31-29-40)53-50-37-34-42-14-10-11-21-48(42)52(50)49-22-12-13-23-51(49)54-53/h1-37H
InChIKeyDWUJWAZUQYTAPV-UHFFFAOYSA-N
XLogP10.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.97
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665395
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
6-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665667
6-(4-phenylphenyl)benzo[k]phenanthridin-2-ol
CID 149095798
2-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]-1,3-benzothiazole
CID 122665649
6-(4-isoquinolin-4-ylphenyl)benzo[k]phenanthridine
CID 122665268
6-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]benzo[k]phenanthridine
CID 122665219
6-[4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665894
6-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[k]phenanthridine
CID 122665665
6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
CID 146231062
6-(6-phenyl-3-pyridinyl)benzo[k]phenanthridine
CID 122665899
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane?
The IUPAC name of [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane (CID 140759791) is [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5ccc5ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane?
The InChIKey is DWUJWAZUQYTAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NSi/c1-4-15-44(16-5-1)55(45-17-6-2-7-18-45,46-19-8-3-9-20-46)47-35-32-41(33-36-47)39-26-24-38(25-27-39)40-28-30-43(31-29-40)53-50-37-34-42-14-10-11-21-48(42)52(50)49-22-12-13-23-51(49)54-53/h1-37H.
What are the key properties of [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane?
[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane has a molecular weight of 715.97 g/mol, XLogP of 10.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 140759791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).