3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole

C27H18N2 — CID 158733846

IUPAC3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole
SMILESC1=Nc2ccccc2C1=C(c1cccc2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C27H18N2/c1-2-10-19-18(8-1)9-7-13-22(19)27(23-16-28-25-14-5-3-11-20(23)25)24-17-29-26-15-6-4-12-21(24)26/h1-17,28H
InChIKeyKRYDCJFJWISEKB-UHFFFAOYSA-N
MW370.46 g/mol
LogP7.00
Rot. Bonds2

About 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole

3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole (PubChem CID 158733846) has the molecular formula C27H18N2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole
PubChem CID158733846
Molecular FormulaC27H18N2
Molecular Weight370.46 g/mol
Exact Mass370.15
IUPAC Name3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole
SMILESC1=Nc2ccccc2C1=C(c1cccc2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C27H18N2/c1-2-10-19-18(8-1)9-7-13-22(19)27(23-16-28-25-14-5-3-11-20(23)25)24-17-29-26-15-6-4-12-21(24)26/h1-17,28H
InChIKeyKRYDCJFJWISEKB-UHFFFAOYSA-N
XLogP7.00
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 158788217
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
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
(E)-3-(1H-indol-3-yl)-1-naphthalen-1-ylprop-2-en-1-one
CID 6249312
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole?
The IUPAC name of 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole (CID 158733846) is 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole.
What is the SMILES notation for 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole?
The canonical SMILES for 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole is C1=Nc2ccccc2C1=C(c1cccc2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole?
The InChIKey is KRYDCJFJWISEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2/c1-2-10-19-18(8-1)9-7-13-22(19)27(23-16-28-25-14-5-3-11-20(23)25)24-17-29-26-15-6-4-12-21(24)26/h1-17,28H.
What are the key properties of 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole?
3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole has a molecular weight of 370.46 g/mol, XLogP of 7.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl(naphthalen-1-yl)methylidene]indole is sourced from PubChem (CID 158733846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).