(4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene

C18H18ClN3 — CID 44579277

IUPAC(4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
SMILESCN1/C(=C\N=N\c2ccc(Cl)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C18H18ClN3/c1-18(2)15-6-4-5-7-16(15)22(3)17(18)12-20-21-14-10-8-13(19)9-11-14/h4-12H,1-3H3/b17-12-,21-20+
InChIKeyZFHDFPPEGDPOSF-WIQPNEMMSA-N
MW311.82 g/mol
LogP5.69
Rot. Bonds2

About (4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene

(4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene (PubChem CID 44579277) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene.

Molecular Properties

Compound Name(4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
PubChem CID44579277
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name(4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
SMILESCN1/C(=C\N=N\c2ccc(Cl)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C18H18ClN3/c1-18(2)15-6-4-5-7-16(15)22(3)17(18)12-20-21-14-10-8-13(19)9-11-14/h4-12H,1-3H3/b17-12-,21-20+
InChIKeyZFHDFPPEGDPOSF-WIQPNEMMSA-N
XLogP5.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.82
LogP ≤ 55.69
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-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
The IUPAC name of (4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene (CID 44579277) is (4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene.
What is the SMILES notation for (4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
The canonical SMILES for (4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene is CN1/C(=C\N=N\c2ccc(Cl)cc2)C(C)(C)c2ccccc21.
What is the InChIKey of (4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
The InChIKey is ZFHDFPPEGDPOSF-WIQPNEMMSA-N. The full InChI is InChI=1S/C18H18ClN3/c1-18(2)15-6-4-5-7-16(15)22(3)17(18)12-20-21-14-10-8-13(19)9-11-14/h4-12H,1-3H3/b17-12-,21-20+.
What are the key properties of (4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
(4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene has a molecular weight of 311.82 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene is sourced from PubChem (CID 44579277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).