2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine

C32H24N6O8 — CID 89352542

IUPAC2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine
SMILESCc1cc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c(C)cc1N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C32H24N6O8/c1-21-19-32(34(25-7-15-29(16-8-25)37(43)44)26-9-17-30(18-10-26)38(45)46)22(2)20-31(21)33(23-3-11-27(12-4-23)35(39)40)24-5-13-28(14-6-24)36(41)42/h3-20H,1-2H3
InChIKeyODYQALCBBWKQTF-UHFFFAOYSA-N
MW620.58 g/mol
LogP8.88
Rot. Bonds10

About 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine

2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine (PubChem CID 89352542) has the molecular formula C32H24N6O8 and a molecular weight of 620.58 g/mol. Its IUPAC name is 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine
PubChem CID89352542
Molecular FormulaC32H24N6O8
Molecular Weight620.58 g/mol
Exact Mass620.17
IUPAC Name2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine
SMILESCc1cc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c(C)cc1N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C32H24N6O8/c1-21-19-32(34(25-7-15-29(16-8-25)37(43)44)26-9-17-30(18-10-26)38(45)46)22(2)20-31(21)33(23-3-11-27(12-4-23)35(39)40)24-5-13-28(14-6-24)36(41)42/h3-20H,1-2H3
InChIKeyODYQALCBBWKQTF-UHFFFAOYSA-N
XLogP8.88
TPSA179.04 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.58
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N~1~-(3-Methylphenyl)-N~4~,N~4~-bis(4-((3-methylphenyl)(phenyl)amino)phenyl)-N~1~-phenylbenzene-1,4-diamine
CID 11061735
1,4-Benzenediamine, N1,N1,N4,N4-tetrakis(4-nitrophenyl)-
CID 76775
N-(4-nitrophenyl)-4-[4-(N-(4-nitrophenyl)anilino)phenyl]-N-phenylaniline
CID 3098255
4-Methyl-N-(4-methylphenyl)-N-(4-nitrophenyl)aniline
CID 12250350
N,N'-Diphenyl-N,N'-di(m-tolyl)-1,4-phenylenediamine
CID 14250518
N-(4-nitrophenyl)-N-phenylnaphthalen-1-amine
CID 18615941
4,4'-Dinitro-4''-methyltriphenylamine
CID 20654618
4-(4-Nitrostyryl)-N,N-diphenylaniline
CID 23509208
4-[2-(4-nitrophenyl)ethenyl]-N,N-diphenylaniline
CID 54369623
Bis[4-(phenyl-isopropyl)phenyl]-4-nitrophenylamine
CID 58231930
4-nitro-N,N-bis[4-nitro-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
CID 46833054
4-N,4-N-bis[2,5-dimethyl-4-[3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]anilino]phenyl]-2,5-dimethyl-1-N,1-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 58963796

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine?
The IUPAC name of 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine (CID 89352542) is 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine?
The canonical SMILES for 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine is Cc1cc(N(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)c(C)cc1N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine?
The InChIKey is ODYQALCBBWKQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N6O8/c1-21-19-32(34(25-7-15-29(16-8-25)37(43)44)26-9-17-30(18-10-26)38(45)46)22(2)20-31(21)33(23-3-11-27(12-4-23)35(39)40)24-5-13-28(14-6-24)36(41)42/h3-20H,1-2H3.
What are the key properties of 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine?
2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine has a molecular weight of 620.58 g/mol, XLogP of 8.88, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine is sourced from PubChem (CID 89352542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).