2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine

C37H37Br2N3 — CID 156680691

IUPAC2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine
SMILESCC(C)(C)c1cc(Br)cc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cc(Br)cc(C(C)(C)C)c3)n2)c1
InChIInChI=1S/C37H37Br2N3/c1-36(2,3)26-20-28(38)24-32(22-26)41(30-14-9-7-10-15-30)34-18-13-19-35(40-34)42(31-16-11-8-12-17-31)33-23-27(37(4,5)6)21-29(39)25-33/h7-25H,1-6H3
InChIKeyPTLBVKQLCPZHSX-UHFFFAOYSA-N
MW683.53 g/mol
LogP12.14
Rot. Bonds6

About 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine

2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine (PubChem CID 156680691) has the molecular formula C37H37Br2N3 and a molecular weight of 683.53 g/mol. Its IUPAC name is 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine
PubChem CID156680691
Molecular FormulaC37H37Br2N3
Molecular Weight683.53 g/mol
Exact Mass681.14
IUPAC Name2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine
SMILESCC(C)(C)c1cc(Br)cc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cc(Br)cc(C(C)(C)C)c3)n2)c1
InChIInChI=1S/C37H37Br2N3/c1-36(2,3)26-20-28(38)24-32(22-26)41(30-14-9-7-10-15-30)34-18-13-19-35(40-34)42(31-16-11-8-12-17-31)33-23-27(37(4,5)6)21-29(39)25-33/h7-25H,1-6H3
InChIKeyPTLBVKQLCPZHSX-UHFFFAOYSA-N
XLogP12.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.53
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine with MolForge

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Related Compounds

3-bromo-5-tert-butyl-N,N-diphenylaniline
CID 164760129
N-(3-bromo-5-tert-butylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]-2,6-diphenylaniline
CID 171607316
N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline
CID 170413315
6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane
CID 162470552
5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine
CID 168843333
N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
CID 122463724
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
CID 158438160
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177067483
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 121443838
2-N,2-N-bis(4-tert-butylphenyl)-6-N-(2-chloro-3-phenoxyphenyl)-6-N-phenylpyridine-2,6-diamine;6-N-(3-bromo-2-chlorophenyl)-2-N,2-N-bis(4-tert-butylphenyl)-6-N-phenylpyridine-2,6-diamine;phenol
CID 159716031

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine (CID 156680691) is 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine is CC(C)(C)c1cc(Br)cc(N(c2ccccc2)c2cccc(N(c3ccccc3)c3cc(Br)cc(C(C)(C)C)c3)n2)c1.
What is the InChIKey of 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine?
The InChIKey is PTLBVKQLCPZHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37Br2N3/c1-36(2,3)26-20-28(38)24-32(22-26)41(30-14-9-7-10-15-30)34-18-13-19-35(40-34)42(31-16-11-8-12-17-31)33-23-27(37(4,5)6)21-29(39)25-33/h7-25H,1-6H3.
What are the key properties of 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine?
2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine has a molecular weight of 683.53 g/mol, XLogP of 12.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine is sourced from PubChem (CID 156680691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).