(4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene

C29H33N3 — CID 171784022

IUPAC(4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene
SMILESCn1c(-c2ccc(C(C)(C)C)cc2)c(/N=N/c2ccc(C(C)(C)C)cc2)c2ccccc21
InChIInChI=1S/C29H33N3/c1-28(2,3)21-14-12-20(13-15-21)27-26(24-10-8-9-11-25(24)32(27)7)31-30-23-18-16-22(17-19-23)29(4,5)6/h8-19H,1-7H3/b31-30+
InChIKeyMCROCLALQLSBHT-NVQSTNCTSA-N
MW423.60 g/mol
LogP8.86
Rot. Bonds3

About (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene

(4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene (PubChem CID 171784022) has the molecular formula C29H33N3 and a molecular weight of 423.60 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene
PubChem CID171784022
Molecular FormulaC29H33N3
Molecular Weight423.60 g/mol
Exact Mass423.27
IUPAC Name(4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene
SMILESCn1c(-c2ccc(C(C)(C)C)cc2)c(/N=N/c2ccc(C(C)(C)C)cc2)c2ccccc21
InChIInChI=1S/C29H33N3/c1-28(2,3)21-14-12-20(13-15-21)27-26(24-10-8-9-11-25(24)32(27)7)31-30-23-18-16-22(17-19-23)29(4,5)6/h8-19H,1-7H3/b31-30+
InChIKeyMCROCLALQLSBHT-NVQSTNCTSA-N
XLogP8.86
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene?
The IUPAC name of (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene (CID 171784022) is (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene.
What is the SMILES notation for (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene?
The canonical SMILES for (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene is Cn1c(-c2ccc(C(C)(C)C)cc2)c(/N=N/c2ccc(C(C)(C)C)cc2)c2ccccc21.
What is the InChIKey of (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene?
The InChIKey is MCROCLALQLSBHT-NVQSTNCTSA-N. The full InChI is InChI=1S/C29H33N3/c1-28(2,3)21-14-12-20(13-15-21)27-26(24-10-8-9-11-25(24)32(27)7)31-30-23-18-16-22(17-19-23)29(4,5)6/h8-19H,1-7H3/b31-30+.
What are the key properties of (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene?
(4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene has a molecular weight of 423.60 g/mol, XLogP of 8.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[2-(4-tert-butylphenyl)-1-methylindol-3-yl]diazene is sourced from PubChem (CID 171784022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).