(4-tert-butyl-2-iodophenyl)-phenyldiazene

C16H17IN2 — CID 11325979

IUPAC(4-tert-butyl-2-iodophenyl)-phenyldiazene
SMILESCC(C)(C)c1ccc(/N=N/c2ccccc2)c(I)c1
InChIInChI=1S/C16H17IN2/c1-16(2,3)12-9-10-15(14(17)11-12)19-18-13-7-5-4-6-8-13/h4-11H,1-3H3/b19-18+
InChIKeyZKUJOOMZUWOHEE-VHEBQXMUSA-N
MW364.23 g/mol
LogP6.00
Rot. Bonds2

About (4-tert-butyl-2-iodophenyl)-phenyldiazene

(4-tert-butyl-2-iodophenyl)-phenyldiazene (PubChem CID 11325979) has the molecular formula C16H17IN2 and a molecular weight of 364.23 g/mol. Its IUPAC name is (4-tert-butyl-2-iodophenyl)-phenyldiazene.

Molecular Properties

Compound Name(4-tert-butyl-2-iodophenyl)-phenyldiazene
PubChem CID11325979
Molecular FormulaC16H17IN2
Molecular Weight364.23 g/mol
Exact Mass364.04
IUPAC Name(4-tert-butyl-2-iodophenyl)-phenyldiazene
SMILESCC(C)(C)c1ccc(/N=N/c2ccccc2)c(I)c1
InChIInChI=1S/C16H17IN2/c1-16(2,3)12-9-10-15(14(17)11-12)19-18-13-7-5-4-6-8-13/h4-11H,1-3H3/b19-18+
InChIKeyZKUJOOMZUWOHEE-VHEBQXMUSA-N
XLogP6.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 56.00
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-tert-butylphenyl)-phenyldiazene
CID 141467290
phenyl-[2-(2-phenylpropan-2-yl)phenyl]diazene
CID 88596726
4-(2-methylbutan-2-yl)-2-phenyldiazenylphenol
CID 141107541
4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol
CID 135787806
diphenyldiazene;hydrofluoride
CID 174857584
methyl-(4-phenyldiazenylnaphthalen-1-yl)diazene
CID 89279758
3-methyl-2,4-bis(phenyldiazenyl)phenol
CID 165356991
(3-bromophenyl)-(2-iodophenyl)diazene
CID 142736144
(3-chlorophenyl)-(2-iodophenyl)diazene
CID 142736178
bis(diphenyldiazene);uranium;vanadium
CID 158886927
(4-bromophenyl)-(2-iodophenyl)diazene
CID 142736190
2-iodo-4-phenyldiazenylaniline
CID 86147627

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-iodophenyl)-phenyldiazene?
The IUPAC name of (4-tert-butyl-2-iodophenyl)-phenyldiazene (CID 11325979) is (4-tert-butyl-2-iodophenyl)-phenyldiazene.
What is the SMILES notation for (4-tert-butyl-2-iodophenyl)-phenyldiazene?
The canonical SMILES for (4-tert-butyl-2-iodophenyl)-phenyldiazene is CC(C)(C)c1ccc(/N=N/c2ccccc2)c(I)c1.
What is the InChIKey of (4-tert-butyl-2-iodophenyl)-phenyldiazene?
The InChIKey is ZKUJOOMZUWOHEE-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H17IN2/c1-16(2,3)12-9-10-15(14(17)11-12)19-18-13-7-5-4-6-8-13/h4-11H,1-3H3/b19-18+.
What are the key properties of (4-tert-butyl-2-iodophenyl)-phenyldiazene?
(4-tert-butyl-2-iodophenyl)-phenyldiazene has a molecular weight of 364.23 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-iodophenyl)-phenyldiazene is sourced from PubChem (CID 11325979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).