[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene

C23H26N2 — CID 91368914

IUPAC[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene
SMILESCC(C)(C)C1=CCC(CC(/N=N/c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C23H26N2/c1-23(2,3)20-15-14-18(16-20)17-22(19-10-6-4-7-11-19)25-24-21-12-8-5-9-13-21/h4-13,15-16,22H,14,17H2,1-3H3/b25-24+
InChIKeyDLUNOLNSMHSPSG-OCOZRVBESA-N
MW330.48 g/mol
LogP7.20
Rot. Bonds5

About [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene

[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene (PubChem CID 91368914) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene.

Molecular Properties

Compound Name[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene
PubChem CID91368914
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene
SMILESCC(C)(C)C1=CCC(CC(/N=N/c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C23H26N2/c1-23(2,3)20-15-14-18(16-20)17-22(19-10-6-4-7-11-19)25-24-21-12-8-5-9-13-21/h4-13,15-16,22H,14,17H2,1-3H3/b25-24+
InChIKeyDLUNOLNSMHSPSG-OCOZRVBESA-N
XLogP7.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 57.20
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

N,N-dimethyl-4-(2-phenyl-2-phenyldiazenylethyl)cyclopenta-1,4-dien-1-amine
CID 90766818
4,4-dimethyl-2-phenyldiazenylpentanenitrile
CID 67922022
2-phenyldiazenyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 57015756
2-(3-methoxyphenyl)-2-phenyldiazenylethanamine
CID 57113808
benzhydryl-(4-methylphenyl)diazene
CID 91269446
(3,3-dimethyl-1-phenylbutyl)silane
CID 173451973
(3-tert-butylphenyl)-phenyldiazene
CID 141467290
4-(1-phenylethyldiazenyl)benzoic acid
CID 91596137
phenyl-(4,4,4-trifluoro-1-phenylbutan-2-yl)diazene
CID 132545724
2-[phenyl(phenyldiazenyl)methyl]propanedinitrile
CID 19435
[4-(2,2-dimethylpropyl)phenyl]-phenyldiazene
CID 134551069
diphenyldiazene;hydrofluoride
CID 174857584

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene?
The IUPAC name of [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene (CID 91368914) is [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene.
What is the SMILES notation for [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene?
The canonical SMILES for [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene is CC(C)(C)C1=CCC(CC(/N=N/c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene?
The InChIKey is DLUNOLNSMHSPSG-OCOZRVBESA-N. The full InChI is InChI=1S/C23H26N2/c1-23(2,3)20-15-14-18(16-20)17-22(19-10-6-4-7-11-19)25-24-21-12-8-5-9-13-21/h4-13,15-16,22H,14,17H2,1-3H3/b25-24+.
What are the key properties of [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene?
[2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene has a molecular weight of 330.48 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butylcyclopenta-1,3-dien-1-yl)-1-phenylethyl]-phenyldiazene is sourced from PubChem (CID 91368914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).