bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane

C34H40N2 — CID 145373818

IUPACbis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane
SMILESCC.Cc1ccc(CCc2ccc(/N=N/c3ccc(CCc4ccc(C)cc4)cc3C)c(C)c2)cc1
InChIInChI=1S/C32H34N2.C2H6/c1-23-5-9-27(10-6-23)13-15-29-17-19-31(25(3)21-29)33-34-32-20-18-30(22-26(32)4)16-14-28-11-7-24(2)8-12-28;1-2/h5-12,17-22H,13-16H2,1-4H3;1-2H3/b34-33+;
InChIKeyXOAHBEMULHGFMA-GGTLNOMSSA-N
MW476.71 g/mol
LogP9.93
Rot. Bonds8

About bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane

bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane (PubChem CID 145373818) has the molecular formula C34H40N2 and a molecular weight of 476.71 g/mol. Its IUPAC name is bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane.

Molecular Properties

Compound Namebis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane
PubChem CID145373818
Molecular FormulaC34H40N2
Molecular Weight476.71 g/mol
Exact Mass476.32
IUPAC Namebis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane
SMILESCC.Cc1ccc(CCc2ccc(/N=N/c3ccc(CCc4ccc(C)cc4)cc3C)c(C)c2)cc1
InChIInChI=1S/C32H34N2.C2H6/c1-23-5-9-27(10-6-23)13-15-29-17-19-31(25(3)21-29)33-34-32-20-18-30(22-26(32)4)16-14-28-11-7-24(2)8-12-28;1-2/h5-12,17-22H,13-16H2,1-4H3;1-2H3/b34-33+;
InChIKeyXOAHBEMULHGFMA-GGTLNOMSSA-N
XLogP9.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]hydrazine
CID 142384624
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
CID 58021964
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
4-[2-[4-[5-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]pentyl]phenyl]ethyl]-2-methylaniline
CID 139903302
1,2-dimethyl-4-[2-(4-methylphenyl)ethyl]-5-propylbenzene
CID 168781285
1,3-dimethyl-2-[2-(4-methylphenyl)ethyl]benzene
CID 143282666
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006

Frequently Asked Questions

What is the IUPAC name of bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane?
The IUPAC name of bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane (CID 145373818) is bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane.
What is the SMILES notation for bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane?
The canonical SMILES for bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane is CC.Cc1ccc(CCc2ccc(/N=N/c3ccc(CCc4ccc(C)cc4)cc3C)c(C)c2)cc1.
What is the InChIKey of bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane?
The InChIKey is XOAHBEMULHGFMA-GGTLNOMSSA-N. The full InChI is InChI=1S/C32H34N2.C2H6/c1-23-5-9-27(10-6-23)13-15-29-17-19-31(25(3)21-29)33-34-32-20-18-30(22-26(32)4)16-14-28-11-7-24(2)8-12-28;1-2/h5-12,17-22H,13-16H2,1-4H3;1-2H3/b34-33+;.
What are the key properties of bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane?
bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane has a molecular weight of 476.71 g/mol, XLogP of 9.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-methyl-4-[2-(4-methylphenyl)ethyl]phenyl]diazene;ethane is sourced from PubChem (CID 145373818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).