4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine

C52H40N6 — CID 101478386

IUPAC4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine
SMILESCc1cc(C)c(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)cc1N(c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C52H40N6/c1-37-35-38(2)52(58(49-15-7-41(8-16-49)45-23-31-55-32-24-45)50-17-9-42(10-18-50)46-25-33-56-34-26-46)36-51(37)57(47-11-3-39(4-12-47)43-19-27-53-28-20-43)48-13-5-40(6-14-48)44-21-29-54-30-22-44/h3-36H,1-2H3
InChIKeyGFDYUTDXVUQAJM-UHFFFAOYSA-N
MW748.93 g/mol
LogP13.49
Rot. Bonds10

About 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine

4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine (PubChem CID 101478386) has the molecular formula C52H40N6 and a molecular weight of 748.93 g/mol. Its IUPAC name is 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine
PubChem CID101478386
Molecular FormulaC52H40N6
Molecular Weight748.93 g/mol
Exact Mass748.33
IUPAC Name4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine
SMILESCc1cc(C)c(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)cc1N(c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C52H40N6/c1-37-35-38(2)52(58(49-15-7-41(8-16-49)45-23-31-55-32-24-45)50-17-9-42(10-18-50)46-25-33-56-34-26-46)36-51(37)57(47-11-3-39(4-12-47)43-19-27-53-28-20-43)48-13-5-40(6-14-48)44-21-29-54-30-22-44/h3-36H,1-2H3
InChIKeyGFDYUTDXVUQAJM-UHFFFAOYSA-N
XLogP13.49
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 101478385
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
N-[4-[5-[4-(N,4-dipyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
CID 122659590
ethane;4-pyridin-4-ylpyridine
CID 142013036
N,N-diphenyl-4-[2,4,6-trimethyl-3-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[2,4,6-trimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[2,4,6-trimethyl-3-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[2,4,6-trimethyl-3-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]phenyl]phenyl]naphthalen-1-amine
CID 157448504
N-(4-bromophenyl)-N-(2-methylphenyl)pyridin-4-amine
CID 67286698
4-methyl-N-(4-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]aniline
CID 146220866
2-methyl-5-pyridin-4-ylphenol
CID 46316792
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine?
The IUPAC name of 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine (CID 101478386) is 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine?
The canonical SMILES for 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine is Cc1cc(C)c(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)cc1N(c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine?
The InChIKey is GFDYUTDXVUQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N6/c1-37-35-38(2)52(58(49-15-7-41(8-16-49)45-23-31-55-32-24-45)50-17-9-42(10-18-50)46-25-33-56-34-26-46)36-51(37)57(47-11-3-39(4-12-47)43-19-27-53-28-20-43)48-13-5-40(6-14-48)44-21-29-54-30-22-44/h3-36H,1-2H3.
What are the key properties of 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine?
4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine has a molecular weight of 748.93 g/mol, XLogP of 13.49, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis(4-pyridin-4-ylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 101478386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).