1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine

C38H40N2 — CID 11813371

IUPAC1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
SMILESCc1ccc(N(c2ccc(C)cc2C)c2ccccc2N(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C38H40N2/c1-25-13-17-33(29(5)21-25)39(34-18-14-26(2)22-30(34)6)37-11-9-10-12-38(37)40(35-19-15-27(3)23-31(35)7)36-20-16-28(4)24-32(36)8/h9-24H,1-8H3
InChIKeyLODDMHVFIGKFJU-UHFFFAOYSA-N
MW524.75 g/mol
LogP11.09
Rot. Bonds6

About 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine

1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine (PubChem CID 11813371) has the molecular formula C38H40N2 and a molecular weight of 524.75 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
PubChem CID11813371
Molecular FormulaC38H40N2
Molecular Weight524.75 g/mol
Exact Mass524.32
IUPAC Name1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
SMILESCc1ccc(N(c2ccc(C)cc2C)c2ccccc2N(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C38H40N2/c1-25-13-17-33(29(5)21-25)39(34-18-14-26(2)22-30(34)6)37-11-9-10-12-38(37)40(35-19-15-27(3)23-31(35)7)36-20-16-28(4)24-32(36)8/h9-24H,1-8H3
InChIKeyLODDMHVFIGKFJU-UHFFFAOYSA-N
XLogP11.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-(4-phenylphenyl)naphthalen-1-yl]chrysene-6,12-diamine
CID 58421128
N-(2,4-dimethylphenyl)-N-[4-[2-[2-[2-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethylaniline
CID 59920436
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
1-N,1-N,6-N,6-N-tetrakis(2,4-dimethylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 138572558
[4-(N-(2,4-dimethylphenyl)anilino)-2-methylphenyl]methanol
CID 20580195
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
6-methyl-N-[2-methyl-4-[3-methyl-4-(N-(6-methylnaphthalen-1-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 67816340
2,4-dimethyl-N-[4-[2-[10-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 58177582
N-(2,4-dimethylphenyl)-N-phenylacetamide
CID 10537956
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-bis(2,4-dimethylphenyl)-7-methylpyrene-1,3-diamine
CID 122578846

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine (CID 11813371) is 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine is Cc1ccc(N(c2ccc(C)cc2C)c2ccccc2N(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine?
The InChIKey is LODDMHVFIGKFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2/c1-25-13-17-33(29(5)21-25)39(34-18-14-26(2)22-30(34)6)37-11-9-10-12-38(37)40(35-19-15-27(3)23-31(35)7)36-20-16-28(4)24-32(36)8/h9-24H,1-8H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine?
1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine has a molecular weight of 524.75 g/mol, XLogP of 11.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 11813371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).