[2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene

C27H20ClN3 — CID 3837717

IUPAC[2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene
SMILESClc1ccc(/N=N/c2c(-c3ccc(Cc4ccccc4)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C27H20ClN3/c28-22-14-16-23(17-15-22)30-31-27-24-8-4-5-9-25(24)29-26(27)21-12-10-20(11-13-21)18-19-6-2-1-3-7-19/h1-17,29H,18H2/b31-30+
InChIKeyALBTUWFQYNOBER-NVQSTNCTSA-N
MW421.93 g/mol
LogP8.49
Rot. Bonds5

About [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene

[2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene (PubChem CID 3837717) has the molecular formula C27H20ClN3 and a molecular weight of 421.93 g/mol. Its IUPAC name is [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene.

Molecular Properties

Compound Name[2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene
PubChem CID3837717
Molecular FormulaC27H20ClN3
Molecular Weight421.93 g/mol
Exact Mass421.13
IUPAC Name[2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene
SMILESClc1ccc(/N=N/c2c(-c3ccc(Cc4ccccc4)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C27H20ClN3/c28-22-14-16-23(17-15-22)30-31-27-24-8-4-5-9-25(24)29-26(27)21-12-10-20(11-13-21)18-19-6-2-1-3-7-19/h1-17,29H,18H2/b31-30+
InChIKeyALBTUWFQYNOBER-NVQSTNCTSA-N
XLogP8.49
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 58.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene?
The IUPAC name of [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene (CID 3837717) is [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene.
What is the SMILES notation for [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene?
The canonical SMILES for [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene is Clc1ccc(/N=N/c2c(-c3ccc(Cc4ccccc4)cc3)[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene?
The InChIKey is ALBTUWFQYNOBER-NVQSTNCTSA-N. The full InChI is InChI=1S/C27H20ClN3/c28-22-14-16-23(17-15-22)30-31-27-24-8-4-5-9-25(24)29-26(27)21-12-10-20(11-13-21)18-19-6-2-1-3-7-19/h1-17,29H,18H2/b31-30+.
What are the key properties of [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene?
[2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene has a molecular weight of 421.93 g/mol, XLogP of 8.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylphenyl)-1H-indol-3-yl]-(4-chlorophenyl)diazene is sourced from PubChem (CID 3837717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).