N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline

C50H43N3Si — CID 140908668

IUPACN-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline
SMILESCc1cnc(-c2cccc(N(c3cccc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C50H43N3Si/c1-36-34-51-47(32-45(36)38-20-10-6-11-21-38)40-24-16-26-42(30-40)53(49-29-15-14-28-44(49)37-18-8-5-9-19-37)43-27-17-25-41(31-43)48-33-46(39-22-12-7-13-23-39)50(35-52-48)54(2,3)4/h5-35H,1-4H3
InChIKeyCHOVBFKGVKHAJQ-UHFFFAOYSA-N
MW714.00 g/mol
LogP13.14
Rot. Bonds9

About N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline

N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline (PubChem CID 140908668) has the molecular formula C50H43N3Si and a molecular weight of 714.00 g/mol. Its IUPAC name is N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline.

Molecular Properties

Compound NameN-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline
PubChem CID140908668
Molecular FormulaC50H43N3Si
Molecular Weight714.00 g/mol
Exact Mass713.32
IUPAC NameN-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline
SMILESCc1cnc(-c2cccc(N(c3cccc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C50H43N3Si/c1-36-34-51-47(32-45(36)38-20-10-6-11-21-38)40-24-16-26-42(30-40)53(49-29-15-14-28-44(49)37-18-8-5-9-19-37)43-27-17-25-41(31-43)48-33-46(39-22-12-7-13-23-39)50(35-52-48)54(2,3)4/h5-35H,1-4H3
InChIKeyCHOVBFKGVKHAJQ-UHFFFAOYSA-N
XLogP13.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.00
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline with MolForge

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Related Compounds

N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline
CID 140908798
2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline
CID 140898216
N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
CID 140908506
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500
2,4-dimethyl-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-(4-trimethylsilyl-2-pyridinyl)phenyl]pyridin-3-amine
CID 140908764
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 121322768
2-(3-bromophenyl)-5-methyl-4-phenylpyridine;N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine
CID 160541704
trimethyl-[4-methyl-6-(3-phenylphenyl)-3-pyridinyl]silane
CID 140710280
trimethyl-[4-methyl-6-(3-methyl-4-phenylphenyl)-3-pyridinyl]silane
CID 166574256
2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
CID 145096303

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline?
The IUPAC name of N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline (CID 140908668) is N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline.
What is the SMILES notation for N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline?
The canonical SMILES for N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline is Cc1cnc(-c2cccc(N(c3cccc(-c4cc(-c5ccccc5)c([Si](C)(C)C)cn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline?
The InChIKey is CHOVBFKGVKHAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N3Si/c1-36-34-51-47(32-45(36)38-20-10-6-11-21-38)40-24-16-26-42(30-40)53(49-29-15-14-28-44(49)37-18-8-5-9-19-37)43-27-17-25-41(31-43)48-33-46(39-22-12-7-13-23-39)50(35-52-48)54(2,3)4/h5-35H,1-4H3.
What are the key properties of N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline?
N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline has a molecular weight of 714.00 g/mol, XLogP of 13.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline is sourced from PubChem (CID 140908668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).