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

C86H85BrCl2N6O2 — CID 159716031

IUPAC2-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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cccc(Br)c3Cl)n2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cccc(Oc4ccccc4)c3Cl)n2)cc1.Oc1ccccc1
InChIInChI=1S/C43H42ClN3O.C37H37BrClN3.C6H6O/c1-42(2,3)31-23-27-34(28-24-31)46(35-29-25-32(26-30-35)43(4,5)6)39-21-14-22-40(45-39)47(33-15-9-7-10-16-33)37-19-13-20-38(41(37)44)48-36-17-11-8-12-18-36;1-36(2,3)26-18-22-29(23-19-26)41(30-24-20-27(21-25-30)37(4,5)6)33-16-11-17-34(40-33)42(28-12-8-7-9-13-28)32-15-10-14-31(38)35(32)39;7-6-4-2-1-3-5-6/h7-30H,1-6H3;7-25H,1-6H3;1-5,7H
InChIKeyMZLDCNCVIFNPTD-UHFFFAOYSA-N
MW1385.48 g/mol
LogP26.49
Rot. Bonds14

About 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

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 (PubChem CID 159716031) has the molecular formula C86H85BrCl2N6O2 and a molecular weight of 1385.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159716031
Molecular FormulaC86H85BrCl2N6O2
Molecular Weight1385.48 g/mol
Exact Mass1382.53
IUPAC Name2-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
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cccc(Br)c3Cl)n2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cccc(Oc4ccccc4)c3Cl)n2)cc1.Oc1ccccc1
InChIInChI=1S/C43H42ClN3O.C37H37BrClN3.C6H6O/c1-42(2,3)31-23-27-34(28-24-31)46(35-29-25-32(26-30-35)43(4,5)6)39-21-14-22-40(45-39)47(33-15-9-7-10-16-33)37-19-13-20-38(41(37)44)48-36-17-11-8-12-18-36;1-36(2,3)26-18-22-29(23-19-26)41(30-24-20-27(21-25-30)37(4,5)6)33-16-11-17-34(40-33)42(28-12-8-7-9-13-28)32-15-10-14-31(38)35(32)39;7-6-4-2-1-3-5-6/h7-30H,1-6H3;7-25H,1-6H3;1-5,7H
InChIKeyMZLDCNCVIFNPTD-UHFFFAOYSA-N
XLogP26.49
TPSA68.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001385.48
LogP ≤ 526.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
CID 118220078
N-[2-chloro-3-[3-[2-chloro-3-(N-pyrimidin-4-ylanilino)phenoxy]phenoxy]phenyl]-N-phenylpyrimidin-4-amine
CID 155662021
2-N,6-N-bis(3-bromo-5-tert-butylphenyl)-2-N,6-N-diphenylpyridine-2,6-diamine
CID 156680691
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
3-N,3-N-bis(4-tert-butylphenyl)-2-chloro-1-N,1-N-bis(4-methylphenyl)benzene-1,3-diamine
CID 142466948
4-tert-butyl-N,N-diphenylaniline
CID 11312667
N,N-bis(4-tert-butylphenyl)pyridin-2-amine
CID 170994719
[2-(4-tert-butyl-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-2-chlorophenyl]anilino)phenyl]boronic acid
CID 171740661
2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide
CID 114883994
10-(3-bromo-2-chlorophenoxy)-7,7-dimethyl-N,N-diphenylbenzo[c]fluoren-5-amine
CID 155397718
6-[bis[6-(N-(2-methoxyphenyl)anilino)-2-pyridinyl]phosphoryl]-N-(2-methylphenyl)-N-phenylpyridin-2-amine;6-[bis[6-(N-(2-methylphenyl)anilino)-2-pyridinyl]phosphoryl]-N-(2-methylphenyl)-N-phenylpyridin-2-amine;6-[bis[6-(N-(3-phenoxyphenyl)anilino)-2-pyridinyl]phosphoryl]-N-(3-phenoxyphenyl)-N-phenylpyridin-2-amine;6-[bis[6-(N-phenylanilino)-2-pyridinyl]phosphoryl]-N,N-diphenylpyridin-2-amine
CID 158143943

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cccc(Br)c3Cl)n2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cccc(Oc4ccccc4)c3Cl)n2)cc1.Oc1ccccc1.
What is the InChIKey of 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?
The InChIKey is MZLDCNCVIFNPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42ClN3O.C37H37BrClN3.C6H6O/c1-42(2,3)31-23-27-34(28-24-31)46(35-29-25-32(26-30-35)43(4,5)6)39-21-14-22-40(45-39)47(33-15-9-7-10-16-33)37-19-13-20-38(41(37)44)48-36-17-11-8-12-18-36;1-36(2,3)26-18-22-29(23-19-26)41(30-24-20-27(21-25-30)37(4,5)6)33-16-11-17-34(40-33)42(28-12-8-7-9-13-28)32-15-10-14-31(38)35(32)39;7-6-4-2-1-3-5-6/h7-30H,1-6H3;7-25H,1-6H3;1-5,7H.
What are the key properties of 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?
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 has a molecular weight of 1385.48 g/mol, XLogP of 26.49, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159716031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).