2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene

C38H52N2 — CID 87818999

IUPAC2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene
SMILESCCCCc1cc(C=C/N=N/c2cc(CCCC)c(CCCC)c(-c3ccccc3)c2)cc(CCCC)c1CC
InChIInChI=1S/C38H52N2/c1-6-11-18-32-26-30(27-33(19-12-7-2)36(32)10-5)24-25-39-40-35-28-34(20-13-8-3)37(23-14-9-4)38(29-35)31-21-16-15-17-22-31/h15-17,21-22,24-29H,6-14,18-20,23H2,1-5H3/b25-24?,40-39+
InChIKeyGZCNPRSASWICQU-IWSVDHONSA-N
MW536.85 g/mol
LogP12.04
Rot. Bonds17

About 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene

2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene (PubChem CID 87818999) has the molecular formula C38H52N2 and a molecular weight of 536.85 g/mol. Its IUPAC name is 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene.

Molecular Properties

Compound Name2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene
PubChem CID87818999
Molecular FormulaC38H52N2
Molecular Weight536.85 g/mol
Exact Mass536.41
IUPAC Name2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene
SMILESCCCCc1cc(C=C/N=N/c2cc(CCCC)c(CCCC)c(-c3ccccc3)c2)cc(CCCC)c1CC
InChIInChI=1S/C38H52N2/c1-6-11-18-32-26-30(27-33(19-12-7-2)36(32)10-5)24-25-39-40-35-28-34(20-13-8-3)37(23-14-9-4)38(29-35)31-21-16-15-17-22-31/h15-17,21-22,24-29H,6-14,18-20,23H2,1-5H3/b25-24?,40-39+
InChIKeyGZCNPRSASWICQU-IWSVDHONSA-N
XLogP12.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.85
LogP ≤ 512.04
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

(3-butyl-4,5-dioctylphenyl)-[2-(3,4-dibutyl-5-phenylphenyl)ethenyl]diazene
CID 87820850
2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene
CID 87819794
1-(3-butyl-4,5-dihexylphenyl)but-1-en-2-yl-(3,4-dihexyl-5-phenylphenyl)diazene
CID 87818963
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
1-(3,4-dibutyl-5-phenylphenyl)but-1-en-2-yl-(3-hexyl-5-methyl-4-phenylphenyl)diazene
CID 87818651
1-N-(3-butyl-4,5-dihexylphenyl)-2-N-(3-butyl-4-octyl-5-phenylphenyl)butane-1,2-diimine
CID 87964233
2-N-(3-butyl-4-methyl-5-phenylphenyl)-1-N-(3,4-dihexyl-5-phenylphenyl)propane-1,2-diimine
CID 87964580
2-N-(3,5-dibutyl-4-octylphenyl)-1-N-(4-methyl-3,5-diphenylphenyl)butane-1,2-diimine
CID 87964388
(4-butyl-3-ethyl-5-phenylphenyl)imino-[1-(3-hexyl-4,5-dimethylphenyl)but-1-en-2-yl]-methylazanium
CID 90717182
1,3-dibutyl-2-ethyl-4-(4-phenylphenyl)benzene
CID 150071734
2-N-(3-hexyl-4-octyl-5-phenylphenyl)-3-N-(3-hexyl-4-phenylphenyl)pentane-2,3-diimine
CID 87964520
1-(4-butyl-3-ethyl-5-hexylphenyl)prop-1-en-2-yl-(3,4-diethyl-5-octylphenyl)diazene
CID 87820169

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene?
The IUPAC name of 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene (CID 87818999) is 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene.
What is the SMILES notation for 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene?
The canonical SMILES for 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene is CCCCc1cc(C=C/N=N/c2cc(CCCC)c(CCCC)c(-c3ccccc3)c2)cc(CCCC)c1CC.
What is the InChIKey of 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene?
The InChIKey is GZCNPRSASWICQU-IWSVDHONSA-N. The full InChI is InChI=1S/C38H52N2/c1-6-11-18-32-26-30(27-33(19-12-7-2)36(32)10-5)24-25-39-40-35-28-34(20-13-8-3)37(23-14-9-4)38(29-35)31-21-16-15-17-22-31/h15-17,21-22,24-29H,6-14,18-20,23H2,1-5H3/b25-24?,40-39+.
What are the key properties of 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene?
2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene has a molecular weight of 536.85 g/mol, XLogP of 12.04, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene is sourced from PubChem (CID 87818999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).