2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene

C37H34N2 — CID 87819794

IUPAC2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene
SMILESCCCCc1cc(C=C/N=N/c2cc(C)cc(-c3ccccc3)c2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C37H34N2/c1-3-4-14-33-25-29(26-36(31-17-10-6-11-18-31)37(33)32-19-12-7-13-20-32)21-22-38-39-35-24-28(2)23-34(27-35)30-15-8-5-9-16-30/h5-13,15-27H,3-4,14H2,1-2H3/b22-21?,39-38+
InChIKeyHVSQHZXFMSWAMZ-AEYFISKDSA-N
MW506.69 g/mol
LogP11.09
Rot. Bonds9

About 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene

2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene (PubChem CID 87819794) has the molecular formula C37H34N2 and a molecular weight of 506.69 g/mol. Its IUPAC name is 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene.

Molecular Properties

Compound Name2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene
PubChem CID87819794
Molecular FormulaC37H34N2
Molecular Weight506.69 g/mol
Exact Mass506.27
IUPAC Name2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene
SMILESCCCCc1cc(C=C/N=N/c2cc(C)cc(-c3ccccc3)c2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C37H34N2/c1-3-4-14-33-25-29(26-36(31-17-10-6-11-18-31)37(33)32-19-12-7-13-20-32)21-22-38-39-35-24-28(2)23-34(27-35)30-15-8-5-9-16-30/h5-13,15-27H,3-4,14H2,1-2H3/b22-21?,39-38+
InChIKeyHVSQHZXFMSWAMZ-AEYFISKDSA-N
XLogP11.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 511.09
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-(3,5-dibutyl-4-ethylphenyl)ethenyl-(3,4-dibutyl-5-phenylphenyl)diazene
CID 87818999
1-(3,4-dibutyl-5-phenylphenyl)but-1-en-2-yl-(3-hexyl-5-methyl-4-phenylphenyl)diazene
CID 87818651
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
1,3-dibutyl-5-[4-(3,5-dibutylphenyl)phenyl]-2-[4-(4-phenylphenyl)phenyl]benzene
CID 90856384
2-(3-butyl-5-octyl-4-phenylphenyl)ethenyl-ethyl-(3-ethyl-5-octyl-4-phenylphenyl)iminoazanium
CID 87964252
1-(3-butyl-4,5-dihexylphenyl)but-1-en-2-yl-(3,4-dihexyl-5-phenylphenyl)diazene
CID 87818963
1,3-dibutyl-2-phenylbenzene
CID 15421912
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
1-hexyl-2,3-diphenylbenzene
CID 54065322
1-[3-[4-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3-heptylphenyl]phenyl]-3,5-dimethylbenzene
CID 59546699
(3-ethyl-5-octyl-4-phenylphenyl)-[1-(3-hexyl-5-phenylphenyl)but-1-en-2-yl]diazene
CID 87959943

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene?
The IUPAC name of 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene (CID 87819794) is 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene.
What is the SMILES notation for 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene?
The canonical SMILES for 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene is CCCCc1cc(C=C/N=N/c2cc(C)cc(-c3ccccc3)c2)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene?
The InChIKey is HVSQHZXFMSWAMZ-AEYFISKDSA-N. The full InChI is InChI=1S/C37H34N2/c1-3-4-14-33-25-29(26-36(31-17-10-6-11-18-31)37(33)32-19-12-7-13-20-32)21-22-38-39-35-24-28(2)23-34(27-35)30-15-8-5-9-16-30/h5-13,15-27H,3-4,14H2,1-2H3/b22-21?,39-38+.
What are the key properties of 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene?
2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene has a molecular weight of 506.69 g/mol, XLogP of 11.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4,5-diphenylphenyl)ethenyl-(3-methyl-5-phenylphenyl)diazene is sourced from PubChem (CID 87819794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).