bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride

C46H38ClN6- — CID 159188307

IUPACbis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride
SMILES[Cl-].c1ccc(Nc2ncccc2Nc2ccccc2-c2ccccc2)cc1.c1ccc(Nc2ncccc2Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/2C23H19N3.ClH/c2*1-3-10-18(11-4-1)20-14-7-8-15-21(20)26-22-16-9-17-24-23(22)25-19-12-5-2-6-13-19;/h2*1-17,26H,(H,24,25);1H/p-1
InChIKeyJSQGSLKPGPRKTM-UHFFFAOYSA-M
MW710.31 g/mol
LogP9.48
Rot. Bonds10

About bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride

bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride (PubChem CID 159188307) has the molecular formula C46H38ClN6- and a molecular weight of 710.31 g/mol. Its IUPAC name is bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride.

Molecular Properties

Compound Namebis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride
PubChem CID159188307
Molecular FormulaC46H38ClN6-
Molecular Weight710.31 g/mol
Exact Mass709.29
IUPAC Namebis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride
SMILES[Cl-].c1ccc(Nc2ncccc2Nc2ccccc2-c2ccccc2)cc1.c1ccc(Nc2ncccc2Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/2C23H19N3.ClH/c2*1-3-10-18(11-4-1)20-14-7-8-15-21(20)26-22-16-9-17-24-23(22)25-19-12-5-2-6-13-19;/h2*1-17,26H,(H,24,25);1H/p-1
InChIKeyJSQGSLKPGPRKTM-UHFFFAOYSA-M
XLogP9.48
TPSA73.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.31
LogP ≤ 59.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,3-N-diphenylpyridine-2,3-diamine
CID 161485713
benzene;N,2-diphenylaniline
CID 175029921
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
3-N-(2-phenylphenyl)pyrazine-2,3-diamine
CID 102984843
3-N-methyl-2-N-phenylpyridine-2,3-diamine;2-N-phenylpyridine-2,3-diamine
CID 162158889
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
2-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908587
2-N,4-diphenylpyridine-2,3-diamine
CID 59346194
2-anilinopyridin-3-ol
CID 13314045
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344

Frequently Asked Questions

What is the IUPAC name of bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride?
The IUPAC name of bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride (CID 159188307) is bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride.
What is the SMILES notation for bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride?
The canonical SMILES for bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride is [Cl-].c1ccc(Nc2ncccc2Nc2ccccc2-c2ccccc2)cc1.c1ccc(Nc2ncccc2Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride?
The InChIKey is JSQGSLKPGPRKTM-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H19N3.ClH/c2*1-3-10-18(11-4-1)20-14-7-8-15-21(20)26-22-16-9-17-24-23(22)25-19-12-5-2-6-13-19;/h2*1-17,26H,(H,24,25);1H/p-1.
What are the key properties of bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride?
bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride has a molecular weight of 710.31 g/mol, XLogP of 9.48, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-N-phenyl-3-N-(2-phenylphenyl)pyridine-2,3-diamine);chloride is sourced from PubChem (CID 159188307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).