benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium

C31H26NO+ — CID 177388138

IUPACbenzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium
SMILESCC1=C(c2ccccc2)Oc2ccccc2/C1=C\C(=[NH+]\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H25NO/c1-23-28(27-19-11-12-20-30(27)33-31(23)26-17-9-4-10-18-26)21-29(25-15-7-3-8-16-25)32-22-24-13-5-2-6-14-24/h2-21H,22H2,1H3/p+1/b28-21-,32-29-
InChIKeyNOUALMLMLAUPMX-PIEPKEJFSA-O
MW428.56 g/mol
LogP5.66
Rot. Bonds5

About benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium

benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium (PubChem CID 177388138) has the molecular formula C31H26NO+ and a molecular weight of 428.56 g/mol. Its IUPAC name is benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium.

Molecular Properties

Compound Namebenzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium
PubChem CID177388138
Molecular FormulaC31H26NO+
Molecular Weight428.56 g/mol
Exact Mass428.20
IUPAC Namebenzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium
SMILESCC1=C(c2ccccc2)Oc2ccccc2/C1=C\C(=[NH+]\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C31H25NO/c1-23-28(27-19-11-12-20-30(27)33-31(23)26-17-9-4-10-18-26)21-29(25-15-7-3-8-16-25)32-22-24-13-5-2-6-14-24/h2-21H,22H2,1H3/p+1/b28-21-,32-29-
InChIKeyNOUALMLMLAUPMX-PIEPKEJFSA-O
XLogP5.66
TPSA23.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium perchlorate
CID 171154862
N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine
CID 2852902
2-(3,5-dimethyl-2,6-diphenylpyran-4-ylidene)-1-phenylethanone
CID 14529383
N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide
CID 143292232
benzyl-[(2E,4E,6E)-7-(benzylamino)-1,7-bis(4-methylphenyl)hepta-2,4,6-trienylidene]azanium tetrafluoroborate
CID 10995385
2,5-dimethyl-3,6-diphenyl-1,4-dioxine
CID 86144116
3-propylidene-1-benzofuran-2-one
CID 141094787
ethane;(3E)-3-ethylidene-1-benzofuran-2-one
CID 143284519
(2E)-N-methyl-2-[(methylideneamino)-[4-[4-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]methylidene]-1-benzofuran-3-imine
CID 134285423
[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol
CID 13435365
9-[bis(4-methylphenyl)methylidene]xanthene
CID 15914606
benzyl-[(diphenylcarbamothioylamino)-phenylmethylidene]azanium
CID 6854544

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium?
The IUPAC name of benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium (CID 177388138) is benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium.
What is the SMILES notation for benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium?
The canonical SMILES for benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium is CC1=C(c2ccccc2)Oc2ccccc2/C1=C\C(=[NH+]\Cc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium?
The InChIKey is NOUALMLMLAUPMX-PIEPKEJFSA-O. The full InChI is InChI=1S/C31H25NO/c1-23-28(27-19-11-12-20-30(27)33-31(23)26-17-9-4-10-18-26)21-29(25-15-7-3-8-16-25)32-22-24-13-5-2-6-14-24/h2-21H,22H2,1H3/p+1/b28-21-,32-29-.
What are the key properties of benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium?
benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium has a molecular weight of 428.56 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium is sourced from PubChem (CID 177388138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).