4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline

C44H33NSi — CID 123354149

IUPAC4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C44H33NSi/c1-5-18-35(19-6-1)45(36-20-7-2-8-21-36)37-29-31-40(32-30-37)46(38-22-9-3-10-23-38,39-24-11-4-12-25-39)44-33-34-17-13-14-26-41(34)42-27-15-16-28-43(42)44/h1-33H
InChIKeyHFYIBUUYMCMVFF-UHFFFAOYSA-N
MW603.84 g/mol
LogP8.84
Rot. Bonds7

About 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline

4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline (PubChem CID 123354149) has the molecular formula C44H33NSi and a molecular weight of 603.84 g/mol. Its IUPAC name is 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline
PubChem CID123354149
Molecular FormulaC44H33NSi
Molecular Weight603.84 g/mol
Exact Mass603.24
IUPAC Name4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C44H33NSi/c1-5-18-35(19-6-1)45(36-20-7-2-8-21-36)37-29-31-40(32-30-37)46(38-22-9-3-10-23-38,39-24-11-4-12-25-39)44-33-34-17-13-14-26-41(34)42-27-15-16-28-43(42)44/h1-33H
InChIKeyHFYIBUUYMCMVFF-UHFFFAOYSA-N
XLogP8.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.84
LogP ≤ 58.84
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

N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)phenanthren-2-amine
CID 164747918
1-N,4-N-di(phenanthren-9-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59806609
N-(4-phenanthren-9-ylphenyl)-N-phenyltriphenylen-2-amine
CID 155304063
N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]naphthalen-2-amine
CID 59720596
4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline
CID 158876574
4-anthracen-9-yl-N,N-diphenylaniline
CID 20625761
methane;N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 160578886
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 142614567
6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-triphenylsilylphenyl)chrysene-6,12-diamine
CID 140926347
N-phenanthren-9-yl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)naphtho[2,1-b][1]benzofuran-10-amine;N-phenyl-N-(4-triphenylsilylphenyl)dibenzofuran-2-amine
CID 157491247
4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 170941889

Frequently Asked Questions

What is the IUPAC name of 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline?
The IUPAC name of 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline (CID 123354149) is 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline?
The InChIKey is HFYIBUUYMCMVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33NSi/c1-5-18-35(19-6-1)45(36-20-7-2-8-21-36)37-29-31-40(32-30-37)46(38-22-9-3-10-23-38,39-24-11-4-12-25-39)44-33-34-17-13-14-26-41(34)42-27-15-16-28-43(42)44/h1-33H.
What are the key properties of 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline?
4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline has a molecular weight of 603.84 g/mol, XLogP of 8.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenanthren-9-yl(diphenyl)silyl]-N,N-diphenylaniline is sourced from PubChem (CID 123354149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).