(3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane

C41H29NSi — CID 164784165

IUPAC(3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3ccc3cnc5ccccc5c34)c2)cc1
InChIInChI=1S/C41H29NSi/c1-4-15-32(16-5-1)43(33-17-6-2-7-18-33,34-19-8-3-9-20-34)35-21-12-14-30(28-35)36-23-13-24-38-37(36)27-26-31-29-42-40-25-11-10-22-39(40)41(31)38/h1-29H
InChIKeyOHXWUTUQVSVVID-UHFFFAOYSA-N
MW563.78 g/mol
LogP7.59
Rot. Bonds5

About (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane

(3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane (PubChem CID 164784165) has the molecular formula C41H29NSi and a molecular weight of 563.78 g/mol. Its IUPAC name is (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane.

Molecular Properties

Compound Name(3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane
PubChem CID164784165
Molecular FormulaC41H29NSi
Molecular Weight563.78 g/mol
Exact Mass563.21
IUPAC Name(3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3ccc3cnc5ccccc5c34)c2)cc1
InChIInChI=1S/C41H29NSi/c1-4-15-32(16-5-1)43(33-17-6-2-7-18-33,34-19-8-3-9-20-34)35-21-12-14-30(28-35)36-23-13-24-38-37(36)27-26-31-29-42-40-25-11-10-22-39(40)41(31)38/h1-29H
InChIKeyOHXWUTUQVSVVID-UHFFFAOYSA-N
XLogP7.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.78
LogP ≤ 57.59
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

(3-benzo[k]phenanthridin-8-ylphenyl)-triphenylsilane;(3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane;(4-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane;benzo[k]phenanthridin-9-yl(tripyridin-2-yl)silane;benzo[k]phenanthridin-7-yl-tris(4-tert-butylphenyl)silane
CID 165007052
7-perylen-3-yl-12-phenylbenzo[j]phenanthridine
CID 59183304
triphenyl-[3-[4-phenyl-6-[2-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 161126582
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
12-naphthalen-1-yl-7-(4-naphthalen-2-ylnaphthalen-1-yl)benzo[j]phenanthridine
CID 59183170
triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 155622091
6-naphthalen-2-yl-9-[4-(6-phenylisoquinolin-3-yl)phenyl]benzo[k]phenanthridine
CID 122665305
[3-[4-[2-[3-[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 161006007
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
CID 59184043
3,10-diphenyl-19-azaheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58309487
[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane
CID 140759791
[4-(9-azahexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1(23),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaen-10-yl)phenyl]-bis(2,6-dimethylphenyl)borane;benzo[k]phenanthridin-9-yl-bis(2,6-dimethylphenyl)borane;(3-benzo[k]phenanthridin-9-ylphenyl)-bis(2,6-dimethylphenyl)borane;(4-benzo[k]phenanthridin-9-ylphenyl)-bis(2,6-dimethylphenyl)borane;bis(2,6-dimethylphenyl)-(10-phenyl-9-azahexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1(23),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaen-6-yl)borane
CID 165057159

Frequently Asked Questions

What is the IUPAC name of (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane?
The IUPAC name of (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane (CID 164784165) is (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane.
What is the SMILES notation for (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane?
The canonical SMILES for (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3ccc3cnc5ccccc5c34)c2)cc1.
What is the InChIKey of (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane?
The InChIKey is OHXWUTUQVSVVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NSi/c1-4-15-32(16-5-1)43(33-17-6-2-7-18-33,34-19-8-3-9-20-34)35-21-12-14-30(28-35)36-23-13-24-38-37(36)27-26-31-29-42-40-25-11-10-22-39(40)41(31)38/h1-29H.
What are the key properties of (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane?
(3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane has a molecular weight of 563.78 g/mol, XLogP of 7.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzo[k]phenanthridin-9-ylphenyl)-triphenylsilane is sourced from PubChem (CID 164784165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).