2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol

C23H16N2O — CID 158788217

IUPAC2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol
SMILESOc1ccccc1C(=C1C=Nc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C23H16N2O/c26-22-12-6-3-9-17(22)23(18-13-24-20-10-4-1-7-15(18)20)19-14-25-21-11-5-2-8-16(19)21/h1-14,24,26H
InChIKeyRAWXZBIQNDAMHU-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.55
Rot. Bonds2

About 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol

2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol (PubChem CID 158788217) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol.

Molecular Properties

Compound Name2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol
PubChem CID158788217
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol
SMILESOc1ccccc1C(=C1C=Nc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C23H16N2O/c26-22-12-6-3-9-17(22)23(18-13-24-20-10-4-1-7-15(18)20)19-14-25-21-11-5-2-8-16(19)21/h1-14,24,26H
InChIKeyRAWXZBIQNDAMHU-UHFFFAOYSA-N
XLogP5.55
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 155772220
3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole
CID 158733846
3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole
CID 161408451
3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole
CID 158832849
(3Z)-5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
CID 155772193
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
CID 158099262
[4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
CID 136691197
(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole
CID 155772104
(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol
CID 155772110
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol?
The IUPAC name of 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol (CID 158788217) is 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol.
What is the SMILES notation for 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol?
The canonical SMILES for 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol is Oc1ccccc1C(=C1C=Nc2ccccc21)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol?
The InChIKey is RAWXZBIQNDAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c26-22-12-6-3-9-17(22)23(18-13-24-20-10-4-1-7-15(18)20)19-14-25-21-11-5-2-8-16(19)21/h1-14,24,26H.
What are the key properties of 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol?
2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol has a molecular weight of 336.39 g/mol, XLogP of 5.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol is sourced from PubChem (CID 158788217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).