N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine

C36H28N4 — CID 21357027

IUPACN-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1cccc(C)c1-n1c(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)nc2cccnc21
InChIInChI=1S/C36H28N4/c1-25-10-8-11-26(2)34(25)40-35(38-33-16-9-23-37-36(33)40)28-18-20-31(21-19-28)39(30-14-4-3-5-15-30)32-22-17-27-12-6-7-13-29(27)24-32/h3-24H,1-2H3
InChIKeyGKHDNEPQKASPHR-UHFFFAOYSA-N
MW516.65 g/mol
LogP9.33
Rot. Bonds5

About N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 21357027) has the molecular formula C36H28N4 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID21357027
Molecular FormulaC36H28N4
Molecular Weight516.65 g/mol
Exact Mass516.23
IUPAC NameN-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1cccc(C)c1-n1c(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)nc2cccnc21
InChIInChI=1S/C36H28N4/c1-25-10-8-11-26(2)34(25)40-35(38-33-16-9-23-37-36(33)40)28-18-20-31(21-19-28)39(30-14-4-3-5-15-30)32-22-17-27-12-6-7-13-29(27)24-32/h3-24H,1-2H3
InChIKeyGKHDNEPQKASPHR-UHFFFAOYSA-N
XLogP9.33
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]aniline
CID 21357053
3-(2,6-dimethylphenyl)-2-[4-[4-[4-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-methylphenyl)-2-[3-[3-[4-[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[3-[4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 160859064
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
N-phenyl-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-2-amine
CID 90198233
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
3-(2-methylphenyl)-2-[3-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
CID 143423680
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
CID 163479113
4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline
CID 21356945
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine (CID 21357027) is N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine is Cc1cccc(C)c1-n1c(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)nc2cccnc21.
What is the InChIKey of N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is GKHDNEPQKASPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4/c1-25-10-8-11-26(2)34(25)40-35(38-33-16-9-23-37-36(33)40)28-18-20-31(21-19-28)39(30-14-4-3-5-15-30)32-22-17-27-12-6-7-13-29(27)24-32/h3-24H,1-2H3.
What are the key properties of N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 516.65 g/mol, XLogP of 9.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 21357027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).