methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium

C25H18NOY- — CID 177124602

IUPACmethyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium
SMILESCc1ccc2c(oc3c4ccccc4ccc23)c1/[C-]=[N+](\C)c1[c-]cccc1.[Y]
InChIInChI=1S/C25H18NO.Y/c1-17-12-14-21-22-15-13-18-8-6-7-11-20(18)24(22)27-25(21)23(17)16-26(2)19-9-4-3-5-10-19;/h3-9,11-15H,1-2H3;/q-1;
InChIKeyBPSITOMERCSIBJ-UHFFFAOYSA-N
MW437.33 g/mol
LogP6.12
Rot. Bonds2

About methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium

methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium (PubChem CID 177124602) has the molecular formula C25H18NOY- and a molecular weight of 437.33 g/mol. Its IUPAC name is methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium.

Molecular Properties

Compound Namemethyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium
PubChem CID177124602
Molecular FormulaC25H18NOY-
Molecular Weight437.33 g/mol
Exact Mass437.05
IUPAC Namemethyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium
SMILESCc1ccc2c(oc3c4ccccc4ccc23)c1/[C-]=[N+](\C)c1[c-]cccc1.[Y]
InChIInChI=1S/C25H18NO.Y/c1-17-12-14-21-22-15-13-18-8-6-7-11-20(18)24(22)27-25(21)23(17)16-26(2)19-9-4-3-5-10-19;/h3-9,11-15H,1-2H3;/q-1;
InChIKeyBPSITOMERCSIBJ-UHFFFAOYSA-N
XLogP6.12
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium
CID 177124603
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole
CID 170111816
10-[(2-methylphenyl)methyl]naphtho[1,2-b][1]benzofuran
CID 157274669
2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pyridin-1-ium
CID 170402833
iridium;5-methyl-6-[5-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-4-pyridinyl]quinoline;2-phenylpyridine
CID 176779378
(Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine
CID 156569515
5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 176779290
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-3-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]imidazol-1-ium
CID 167387895
N,N-di(dibenzofuran-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804104
3-methyl-24-oxa-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 166026592
10-(4-bromonaphthalen-1-yl)naphtho[1,2-b][1]benzofuran
CID 118616472

Frequently Asked Questions

What is the IUPAC name of methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium?
The IUPAC name of methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium (CID 177124602) is methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium.
What is the SMILES notation for methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium?
The canonical SMILES for methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium is Cc1ccc2c(oc3c4ccccc4ccc23)c1/[C-]=[N+](\C)c1[c-]cccc1.[Y].
What is the InChIKey of methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium?
The InChIKey is BPSITOMERCSIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18NO.Y/c1-17-12-14-21-22-15-13-18-8-6-7-11-20(18)24(22)27-25(21)23(17)16-26(2)19-9-4-3-5-10-19;/h3-9,11-15H,1-2H3;/q-1;.
What are the key properties of methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium?
methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium has a molecular weight of 437.33 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium is sourced from PubChem (CID 177124602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).