(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene

C24H21N3O2 — CID 137148122

IUPAC(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene
SMILESCOc1ccc(/C=C/c2[nH]c3ccccc3c2/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-28-19-12-7-17(8-13-19)9-16-23-24(21-5-3-4-6-22(21)25-23)27-26-18-10-14-20(29-2)15-11-18/h3-16,25H,1-2H3/b16-9+,27-26+
InChIKeyWLBMXPKSNGLYMW-PFQPBKSSSA-N
MW383.45 g/mol
LogP6.77
Rot. Bonds6

About (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene

(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene (PubChem CID 137148122) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene
PubChem CID137148122
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene
SMILESCOc1ccc(/C=C/c2[nH]c3ccccc3c2/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-28-19-12-7-17(8-13-19)9-16-23-24(21-5-3-4-6-22(21)25-23)27-26-18-10-14-20(29-2)15-11-18/h3-16,25H,1-2H3/b16-9+,27-26+
InChIKeyWLBMXPKSNGLYMW-PFQPBKSSSA-N
XLogP6.77
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)diazene
CID 2852535
2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol
CID 867421
1H-indol-3-yl-(4-methoxyphenyl)diazene
CID 136732360
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole
CID 88654272
S-[(2E)-2-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]hydrazinyl] N-[(2-hydroxy-1H-indol-3-yl)imino]carbamothioate
CID 177445778
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 143581960
(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
CID 136721271
[1-[(4-methoxyphenyl)diazenyl]naphthalen-2-yl]-[(4-methoxyphenyl)methylidene]azanium tetrafluoroborate
CID 6431724
4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 135921976
(5-chloro-2-methyl-1H-indol-3-yl)-(4-methoxyphenyl)diazene
CID 154723195
(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 122192252

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene?
The IUPAC name of (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene (CID 137148122) is (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene.
What is the SMILES notation for (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene?
The canonical SMILES for (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene is COc1ccc(/C=C/c2[nH]c3ccccc3c2/N=N/c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene?
The InChIKey is WLBMXPKSNGLYMW-PFQPBKSSSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-28-19-12-7-17(8-13-19)9-16-23-24(21-5-3-4-6-22(21)25-23)27-26-18-10-14-20(29-2)15-11-18/h3-16,25H,1-2H3/b16-9+,27-26+.
What are the key properties of (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene?
(4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene has a molecular weight of 383.45 g/mol, XLogP of 6.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indol-3-yl]diazene is sourced from PubChem (CID 137148122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).