(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole

C25H17F3N2O — CID 155772104

IUPAC(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole
SMILESCOc1cccc2c1N=C/C2=C(/c1ccc(C(F)(F)F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H17F3N2O/c1-31-22-8-4-6-18-20(14-30-24(18)22)23(15-9-11-16(12-10-15)25(26,27)28)19-13-29-21-7-3-2-5-17(19)21/h2-14,29H,1H3/b23-20+
InChIKeyKPQHSOAUUGPZIJ-BSYVCWPDSA-N
MW418.42 g/mol
LogP6.87
Rot. Bonds3

About (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole

(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole (PubChem CID 155772104) has the molecular formula C25H17F3N2O and a molecular weight of 418.42 g/mol. Its IUPAC name is (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole.

Molecular Properties

Compound Name(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole
PubChem CID155772104
Molecular FormulaC25H17F3N2O
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Name(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole
SMILESCOc1cccc2c1N=C/C2=C(/c1ccc(C(F)(F)F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H17F3N2O/c1-31-22-8-4-6-18-20(14-30-24(18)22)23(15-9-11-16(12-10-15)25(26,27)28)19-13-29-21-7-3-2-5-17(19)21/h2-14,29H,1H3/b23-20+
InChIKeyKPQHSOAUUGPZIJ-BSYVCWPDSA-N
XLogP6.87
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indol-1-ium
CID 169425143
3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-1-propylindol-1-ium
CID 159313072
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indol-1-ium chloride
CID 158099261
(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-1-propylindol-1-ium chloride
CID 164610260
(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol
CID 155772110
2-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
CID 154708719
(3Z)-3-[(6-fluoro-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]-1-methylindol-1-ium
CID 155772377
3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole
CID 158733846
2-[(E)-1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 155772220
2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 158788217

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole?
The IUPAC name of (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole (CID 155772104) is (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole.
What is the SMILES notation for (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole?
The canonical SMILES for (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole is COc1cccc2c1N=C/C2=C(/c1ccc(C(F)(F)F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole?
The InChIKey is KPQHSOAUUGPZIJ-BSYVCWPDSA-N. The full InChI is InChI=1S/C25H17F3N2O/c1-31-22-8-4-6-18-20(14-30-24(18)22)23(15-9-11-16(12-10-15)25(26,27)28)19-13-29-21-7-3-2-5-17(19)21/h2-14,29H,1H3/b23-20+.
What are the key properties of (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole?
(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole has a molecular weight of 418.42 g/mol, XLogP of 6.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole is sourced from PubChem (CID 155772104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).