2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine

C66H49BrN4 — CID 158048290

IUPAC2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine
SMILESBrc1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)c1.Nc1cccc2ccccc12.c1ccc(-c2ccc(-c3ccnc(-c4cccc(Nc5cccc6ccccc56)c4)c3)cc2)cc1
InChIInChI=1S/C33H24N2.C23H16BrN.C10H9N/c1-2-8-24(9-3-1)25-16-18-26(19-17-25)28-20-21-34-33(23-28)29-12-6-13-30(22-29)35-32-15-7-11-27-10-4-5-14-31(27)32;24-22-8-4-7-21(15-22)23-16-20(13-14-25-23)19-11-9-18(10-12-19)17-5-2-1-3-6-17;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-23,35H;1-16H;1-7H,11H2
InChIKeyFJEGCKDXJLTIAG-UHFFFAOYSA-N
MW978.05 g/mol
LogP18.25
Rot. Bonds8

About 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine

2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine (PubChem CID 158048290) has the molecular formula C66H49BrN4 and a molecular weight of 978.05 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine
PubChem CID158048290
Molecular FormulaC66H49BrN4
Molecular Weight978.05 g/mol
Exact Mass976.31
IUPAC Name2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine
SMILESBrc1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)c1.Nc1cccc2ccccc12.c1ccc(-c2ccc(-c3ccnc(-c4cccc(Nc5cccc6ccccc56)c4)c3)cc2)cc1
InChIInChI=1S/C33H24N2.C23H16BrN.C10H9N/c1-2-8-24(9-3-1)25-16-18-26(19-17-25)28-20-21-34-33(23-28)29-12-6-13-30(22-29)35-32-15-7-11-27-10-4-5-14-31(27)32;24-22-8-4-7-21(15-22)23-16-20(13-14-25-23)19-11-9-18(10-12-19)17-5-2-1-3-6-17;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-23,35H;1-16H;1-7H,11H2
InChIKeyFJEGCKDXJLTIAG-UHFFFAOYSA-N
XLogP18.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.05
LogP ≤ 518.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Bromobenzo[h]quinoline
CID 12548908
10-Bromobenzo[h]quinoline
CID 14971962
2,2'-Pentaphene-13,14-diyldipyridine
CID 21826350
3-phenyl-1-[3-phenyl-2-(pyridin-2-ylmethylamino)naphthalen-1-yl]-N-(pyridin-2-ylmethyl)naphthalen-2-amine
CID 11606941
1-pyridin-2-yl-N-[1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-yl]methanimine
CID 12145290
Bromoanthrapyridine
CID 88732930
9,10-Bis(6-phenylpyridin-3-yl)anthracene
CID 88908906
10-(4-Bromophenyl)benzo[h]quinoline
CID 117994206
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}(5-Bromo-2-Fluorobenzyl) Amine
CID 66914367
2-(5-Bromo-2-pyridinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 69105884
[2-(6-Bromo-5-fluoroisoquinolin-1-yl)phenyl]-diphenylmethanamine
CID 89644125
5-[2-[4-[6-(4-fluoro-3-methylphenyl)-5-[4-methanimidoyl-3-(methylamino)phenyl]-3-pyridinyl]-3-methylphenyl]-3-pyridinyl]-2-methanimidoyl-N-methylaniline
CID 123955592

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine?
The IUPAC name of 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine (CID 158048290) is 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine is Brc1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccn2)c1.Nc1cccc2ccccc12.c1ccc(-c2ccc(-c3ccnc(-c4cccc(Nc5cccc6ccccc56)c4)c3)cc2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine?
The InChIKey is FJEGCKDXJLTIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2.C23H16BrN.C10H9N/c1-2-8-24(9-3-1)25-16-18-26(19-17-25)28-20-21-34-33(23-28)29-12-6-13-30(22-29)35-32-15-7-11-27-10-4-5-14-31(27)32;24-22-8-4-7-21(15-22)23-16-20(13-14-25-23)19-11-9-18(10-12-19)17-5-2-1-3-6-17;11-10-7-3-5-8-4-1-2-6-9(8)10/h1-23,35H;1-16H;1-7H,11H2.
What are the key properties of 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine?
2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine has a molecular weight of 978.05 g/mol, XLogP of 18.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(4-phenylphenyl)pyridine;naphthalen-1-amine;N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 158048290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).