N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine

C39H33BrN2O — CID 155769610

IUPACN-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine
SMILESCC(C)(C)c1ccnc(N(c2cccc(Oc3cccc(Br)c3)c2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1
InChIInChI=1S/C39H33BrN2O/c1-39(2,3)30-23-24-41-37(25-30)42(32-18-11-20-34(27-32)43-33-19-10-17-31(40)26-33)38-35(28-13-6-4-7-14-28)21-12-22-36(38)29-15-8-5-9-16-29/h4-27H,1-3H3
InChIKeyJMHOREANTXXNCJ-UHFFFAOYSA-N
MW625.61 g/mol
LogP11.74
Rot. Bonds7

About N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine

N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine (PubChem CID 155769610) has the molecular formula C39H33BrN2O and a molecular weight of 625.61 g/mol. Its IUPAC name is N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine
PubChem CID155769610
Molecular FormulaC39H33BrN2O
Molecular Weight625.61 g/mol
Exact Mass624.18
IUPAC NameN-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine
SMILESCC(C)(C)c1ccnc(N(c2cccc(Oc3cccc(Br)c3)c2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1
InChIInChI=1S/C39H33BrN2O/c1-39(2,3)30-23-24-41-37(25-30)42(32-18-11-20-34(27-32)43-33-19-10-17-31(40)26-33)38-35(28-13-6-4-7-14-28)21-12-22-36(38)29-15-8-5-9-16-29/h4-27H,1-3H3
InChIKeyJMHOREANTXXNCJ-UHFFFAOYSA-N
XLogP11.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.61
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromophenoxy)-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 164937868
[1-[3-[3-[(4-tert-butyl-2-pyridinyl)oxy]-N-(2,6-diphenylphenyl)anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162500194
3-[3-tert-butyl-5-(3-chlorophenoxy)-N-(2,6-diphenylphenyl)anilino]phenol
CID 176828409
3-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)phenoxy]phenyl]-3-N-[2-(4-tert-butylphenyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 164937869
3-N-(4-tert-butyl-2,6-diphenylphenyl)-5-chloro-3-N-[3-[3-(N-(3,5-ditert-butylphenyl)anilino)-5-(9,9'-spirobi[fluorene]-1-yl)phenoxy]phenyl]-1-N-(2,6-diphenylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 171745476
(4-tert-butyl-2-pyridinyl)-phenylcarbamic acid
CID 66589408
4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine
CID 172528313
N-(3-bromo-5-tert-butylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]-2,6-diphenylaniline
CID 171607316
[1-[3-[N-(2,6-diphenylphenyl)-3-[(4-methyl-2-pyridinyl)oxy]anilino]phenyl]-3-methylbenzimidazol-2-ylidene]platinum
CID 162499989
N-[3-[3-[3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]phenoxy]phenyl]-N-phenylpyridin-2-amine
CID 168784510
5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 166011294
2-[2-[3-(N-(4-tert-butyl-2-pyridinyl)anilino)phenyl]pyrido[2,3-b]indol-9-yl]phenol
CID 154589840

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine?
The IUPAC name of N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine (CID 155769610) is N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine?
The canonical SMILES for N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine is CC(C)(C)c1ccnc(N(c2cccc(Oc3cccc(Br)c3)c2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1.
What is the InChIKey of N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine?
The InChIKey is JMHOREANTXXNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33BrN2O/c1-39(2,3)30-23-24-41-37(25-30)42(32-18-11-20-34(27-32)43-33-19-10-17-31(40)26-33)38-35(28-13-6-4-7-14-28)21-12-22-36(38)29-15-8-5-9-16-29/h4-27H,1-3H3.
What are the key properties of N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine?
N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine has a molecular weight of 625.61 g/mol, XLogP of 11.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenoxy)phenyl]-4-tert-butyl-N-(2,6-diphenylphenyl)pyridin-2-amine is sourced from PubChem (CID 155769610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).