N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline

C53H39N3 — CID 140908798

IUPACN-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline
SMILESCc1cnc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C53H39N3/c1-38-37-55-52(36-50(38)43-29-27-41(28-30-43)39-16-5-2-6-17-39)44-22-15-23-47(33-44)56(53-26-12-11-24-49(53)42-20-9-4-10-21-42)48-34-45(40-18-7-3-8-19-40)32-46(35-48)51-25-13-14-31-54-51/h2-37H,1H3
InChIKeyHXZUZDQMJVMJGK-UHFFFAOYSA-N
MW717.92 g/mol
LogP14.26
Rot. Bonds9

About N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline

N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline (PubChem CID 140908798) has the molecular formula C53H39N3 and a molecular weight of 717.92 g/mol. Its IUPAC name is N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline.

Molecular Properties

Compound NameN-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline
PubChem CID140908798
Molecular FormulaC53H39N3
Molecular Weight717.92 g/mol
Exact Mass717.31
IUPAC NameN-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline
SMILESCc1cnc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C53H39N3/c1-38-37-55-52(36-50(38)43-29-27-41(28-30-43)39-16-5-2-6-17-39)44-22-15-23-47(33-44)56(53-26-12-11-24-49(53)42-20-9-4-10-21-42)48-34-45(40-18-7-3-8-19-40)32-46(35-48)51-25-13-14-31-54-51/h2-37H,1H3
InChIKeyHXZUZDQMJVMJGK-UHFFFAOYSA-N
XLogP14.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.92
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
N-(4-carbazol-9-ylphenyl)-3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908469
N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-2-phenyl-N-[3-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]aniline
CID 140908668
N-(3-isocyano-5-pyridin-2-ylphenyl)-3-phenyl-N-(2-phenylphenyl)-5-[4-(4-phenylphenyl)-2-pyridinyl]aniline
CID 140898214
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
2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline
CID 140758620
2-phenyl-N,N-bis[3-(4-phenyl-2-pyridinyl)phenyl]aniline
CID 140898216
N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
CID 140587043
2-(3,5-diphenylphenyl)-N,N-bis(3-phenylphenyl)aniline;3,5-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline;ethane
CID 145096303
N,N-bis[3-(5-methyl-4-naphthalen-2-yl-2-pyridinyl)phenyl]naphthalen-1-amine
CID 140908506
5-methyl-4-phenyl-2-(3-phenylphenyl)pyridine
CID 140676048
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline?
The IUPAC name of N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline (CID 140908798) is N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline.
What is the SMILES notation for N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline?
The canonical SMILES for N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline is Cc1cnc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccn4)c3)c3ccccc3-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline?
The InChIKey is HXZUZDQMJVMJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N3/c1-38-37-55-52(36-50(38)43-29-27-41(28-30-43)39-16-5-2-6-17-39)44-22-15-23-47(33-44)56(53-26-12-11-24-49(53)42-20-9-4-10-21-42)48-34-45(40-18-7-3-8-19-40)32-46(35-48)51-25-13-14-31-54-51/h2-37H,1H3.
What are the key properties of N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline?
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline has a molecular weight of 717.92 g/mol, XLogP of 14.26, 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-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenyl-N-(2-phenylphenyl)-5-pyridin-2-ylaniline is sourced from PubChem (CID 140908798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).