6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine

C82H67Br3N4 — CID 159350008

IUPAC6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine
SMILESBrc1cccc(Br)n1.CC(C)(C)c1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2cccc(Br)n2)c(-c2cccc3ccccc23)c1.CC(C)(C)c1ccc(Nc2cccc(-c3cccc4ccccc34)c2)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C41H33BrN2.C36H31N.C5H3Br2N/c1-41(2,3)31-24-25-38(37(27-31)36-21-10-15-29-13-5-7-19-34(29)36)44(40-23-11-22-39(42)43-40)32-17-8-16-30(26-32)35-20-9-14-28-12-4-6-18-33(28)35;1-36(2,3)28-21-22-35(34(24-28)33-20-10-14-26-12-5-7-18-31(26)33)37-29-16-8-15-27(23-29)32-19-9-13-25-11-4-6-17-30(25)32;6-4-2-1-3-5(7)8-4/h4-27H,1-3H3;4-24,37H,1-3H3;1-3H
InChIKeyLHEYVEFGIUEDMS-UHFFFAOYSA-N
MW1348.18 g/mol
LogP25.23
Rot. Bonds9

About 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine

6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine (PubChem CID 159350008) has the molecular formula C82H67Br3N4 and a molecular weight of 1348.18 g/mol. Its IUPAC name is 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine.

Molecular Properties

Compound Name6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine
PubChem CID159350008
Molecular FormulaC82H67Br3N4
Molecular Weight1348.18 g/mol
Exact Mass1344.29
IUPAC Name6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine
SMILESBrc1cccc(Br)n1.CC(C)(C)c1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2cccc(Br)n2)c(-c2cccc3ccccc23)c1.CC(C)(C)c1ccc(Nc2cccc(-c3cccc4ccccc34)c2)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C41H33BrN2.C36H31N.C5H3Br2N/c1-41(2,3)31-24-25-38(37(27-31)36-21-10-15-29-13-5-7-19-34(29)36)44(40-23-11-22-39(42)43-40)32-17-8-16-30(26-32)35-20-9-14-28-12-4-6-18-33(28)35;1-36(2,3)28-21-22-35(34(24-28)33-20-10-14-26-12-5-7-18-31(26)33)37-29-16-8-15-27(23-29)32-19-9-13-25-11-4-6-17-30(25)32;6-4-2-1-3-5(7)8-4/h4-27H,1-3H3;4-24,37H,1-3H3;1-3H
InChIKeyLHEYVEFGIUEDMS-UHFFFAOYSA-N
XLogP25.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.18
LogP ≤ 525.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
1-N-(4-tert-butyl-2-phenylphenyl)-3-N,3-N-diphenylbenzene-1,3-diamine
CID 164550748
5-tert-butyl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290061
2-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170290050
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
N-tert-butyl-3-naphthalen-1-yl-N-phenylaniline
CID 177100605
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666
N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 166566557
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119
N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;2-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-2-chlorophenyl]-6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine
CID 158438158
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine?
The IUPAC name of 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine (CID 159350008) is 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine.
What is the SMILES notation for 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine?
The canonical SMILES for 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine is Brc1cccc(Br)n1.CC(C)(C)c1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2cccc(Br)n2)c(-c2cccc3ccccc23)c1.CC(C)(C)c1ccc(Nc2cccc(-c3cccc4ccccc34)c2)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine?
The InChIKey is LHEYVEFGIUEDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33BrN2.C36H31N.C5H3Br2N/c1-41(2,3)31-24-25-38(37(27-31)36-21-10-15-29-13-5-7-19-34(29)36)44(40-23-11-22-39(42)43-40)32-17-8-16-30(26-32)35-20-9-14-28-12-4-6-18-33(28)35;1-36(2,3)28-21-22-35(34(24-28)33-20-10-14-26-12-5-7-18-31(26)33)37-29-16-8-15-27(23-29)32-19-9-13-25-11-4-6-17-30(25)32;6-4-2-1-3-5(7)8-4/h4-27H,1-3H3;4-24,37H,1-3H3;1-3H.
What are the key properties of 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine?
6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine has a molecular weight of 1348.18 g/mol, XLogP of 25.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)pyridin-2-amine;4-tert-butyl-2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline;2,6-dibromopyridine is sourced from PubChem (CID 159350008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).