3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide

C32H25N3 — CID 153329289

IUPAC3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide
SMILESC/C=C(\N=C(/N=C(C)C)c1cccc(C#N)c1)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C32H25N3/c1-4-31(35-32(34-21(2)3)24-11-9-10-22(18-24)20-33)23-16-17-29-27-14-6-5-12-25(27)26-13-7-8-15-28(26)30(29)19-23/h4-19H,1-3H3/b31-4-,35-32-
InChIKeyGGMRUPYTTIVOFS-CQPSKQNBSA-N
MW451.57 g/mol
LogP8.31
Rot. Bonds3

About 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide

3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide (PubChem CID 153329289) has the molecular formula C32H25N3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide
PubChem CID153329289
Molecular FormulaC32H25N3
Molecular Weight451.57 g/mol
Exact Mass451.20
IUPAC Name3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide
SMILESC/C=C(\N=C(/N=C(C)C)c1cccc(C#N)c1)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C32H25N3/c1-4-31(35-32(34-21(2)3)24-11-9-10-22(18-24)20-33)23-16-17-29-27-14-6-5-12-25(27)26-13-7-8-15-28(26)30(29)19-23/h4-19H,1-3H3/b31-4-,35-32-
InChIKeyGGMRUPYTTIVOFS-CQPSKQNBSA-N
XLogP8.31
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-cyanophenyl)ethylidene]-N'-methylethanimidamide
CID 143176609
1-(3-carbazol-9-ylphenyl)ethenamine;3-[(1-triphenylen-2-ylethylideneamino)methyl]benzonitrile
CID 153329246
3-cyanobenzenecarbothioamide
CID 23279245
ethane;3-[(1E)-4-methyl-1-(methylamino)penta-1,3-dien-2-yl]benzonitrile
CID 145165460
3-[(1E,3E)-2,4-bis(2,7-dimethylcarbazol-9-yl)-1-(methylideneamino)penta-1,3-dien-3-yl]benzonitrile
CID 146544168
3-(C-phenyl-N-trimethylsilyloxycarbonimidoyl)benzonitrile
CID 140887445
3-(triphenylen-2-ylmethyl)benzonitrile
CID 153329231
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
N-[(E)-1-phenylbut-1-enyl]-1-triphenylen-2-ylpropan-1-imine
CID 138548623
3-[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]benzonitrile
CID 89247823
3-[C-methyl-N-[(Z)-1-phenylprop-1-enyl]carbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 167071765
2-prop-1-en-2-yltriphenylene
CID 142551751

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide?
The IUPAC name of 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide (CID 153329289) is 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide?
The canonical SMILES for 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide is C/C=C(\N=C(/N=C(C)C)c1cccc(C#N)c1)c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide?
The InChIKey is GGMRUPYTTIVOFS-CQPSKQNBSA-N. The full InChI is InChI=1S/C32H25N3/c1-4-31(35-32(34-21(2)3)24-11-9-10-22(18-24)20-33)23-16-17-29-27-14-6-5-12-25(27)26-13-7-8-15-28(26)30(29)19-23/h4-19H,1-3H3/b31-4-,35-32-.
What are the key properties of 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide?
3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide has a molecular weight of 451.57 g/mol, XLogP of 8.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 153329289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).