2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile

C26H25N3 — CID 89074587

IUPAC2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile
SMILESCN1/C(=C\C=c2/ccc(=C(C#N)C#N)c3c2CCC=C3)C(C)(C)C2C=CC=CC21
InChIInChI=1S/C26H25N3/c1-26(2)23-10-6-7-11-24(23)29(3)25(26)15-13-18-12-14-21(19(16-27)17-28)22-9-5-4-8-20(18)22/h5-7,9-15,23-24H,4,8H2,1-3H3/b18-13+,25-15-
InChIKeyVETQFIUXOOUGJS-DBZUDHCTSA-N
MW379.51 g/mol
LogP3.59
Rot. Bonds1

About 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile

2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile (PubChem CID 89074587) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile
PubChem CID89074587
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile
SMILESCN1/C(=C\C=c2/ccc(=C(C#N)C#N)c3c2CCC=C3)C(C)(C)C2C=CC=CC21
InChIInChI=1S/C26H25N3/c1-26(2)23-10-6-7-11-24(23)29(3)25(26)15-13-18-12-14-21(19(16-27)17-28)22-9-5-4-8-20(18)22/h5-7,9-15,23-24H,4,8H2,1-3H3/b18-13+,25-15-
InChIKeyVETQFIUXOOUGJS-DBZUDHCTSA-N
XLogP3.59
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile?
The IUPAC name of 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile (CID 89074587) is 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile is CN1/C(=C\C=c2/ccc(=C(C#N)C#N)c3c2CCC=C3)C(C)(C)C2C=CC=CC21.
What is the InChIKey of 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile?
The InChIKey is VETQFIUXOOUGJS-DBZUDHCTSA-N. The full InChI is InChI=1S/C26H25N3/c1-26(2)23-10-6-7-11-24(23)29(3)25(26)15-13-18-12-14-21(19(16-27)17-28)22-9-5-4-8-20(18)22/h5-7,9-15,23-24H,4,8H2,1-3H3/b18-13+,25-15-.
What are the key properties of 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile?
2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile has a molecular weight of 379.51 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(2Z)-2-(1,3,3-trimethyl-3a,7a-dihydroindol-2-ylidene)ethylidene]-5,6-dihydronaphthalen-1-ylidene]propanedinitrile is sourced from PubChem (CID 89074587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).