(4,6,8-triphenyldibenzofuran-1-yl)methanimine

C31H21NO — CID 153340539

IUPAC(4,6,8-triphenyldibenzofuran-1-yl)methanimine
SMILES[H]/N=C/c1ccc(-c2ccccc2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C31H21NO/c32-20-24-16-17-26(22-12-6-2-7-13-22)31-29(24)28-19-25(21-10-4-1-5-11-21)18-27(30(28)33-31)23-14-8-3-9-15-23/h1-20,32H/b32-20+
InChIKeyYGPRDVRQXUFIMI-UZWMFBFFSA-N
MW423.52 g/mol
LogP8.58
Rot. Bonds4

About (4,6,8-triphenyldibenzofuran-1-yl)methanimine

(4,6,8-triphenyldibenzofuran-1-yl)methanimine (PubChem CID 153340539) has the molecular formula C31H21NO and a molecular weight of 423.52 g/mol. Its IUPAC name is (4,6,8-triphenyldibenzofuran-1-yl)methanimine.

Molecular Properties

Compound Name(4,6,8-triphenyldibenzofuran-1-yl)methanimine
PubChem CID153340539
Molecular FormulaC31H21NO
Molecular Weight423.52 g/mol
Exact Mass423.16
IUPAC Name(4,6,8-triphenyldibenzofuran-1-yl)methanimine
SMILES[H]/N=C/c1ccc(-c2ccccc2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C31H21NO/c32-20-24-16-17-26(22-12-6-2-7-13-22)31-29(24)28-19-25(21-10-4-1-5-11-21)18-27(30(28)33-31)23-14-8-3-9-15-23/h1-20,32H/b32-20+
InChIKeyYGPRDVRQXUFIMI-UZWMFBFFSA-N
XLogP8.58
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6,8-tetraphenyldibenzofuran-1-ol
CID 101377817
4-methyl-2,6,8-triphenyldibenzofuran
CID 71273276
4-phenanthren-9-yl-6,8-diphenyldibenzofuran-1-carboximidamide
CID 153340661
4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide
CID 153340631
2,4,8-triphenyl-6-[7-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-2-yl]dibenzofuran
CID 158117088
N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine
CID 153340640
2-(6,8-diphenyl-4-pyridin-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 148762875
CID 153340684
CID 153340684
[8-(9-phenyldibenzothiophen-1-yl)dibenzofuran-1-yl]methanimine
CID 156643036
1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran
CID 139479644
CID 146816800
CID 146816800
2,4,8-triphenyl-6-[6-(2,6,8-triphenyldibenzofuran-4-yl)-9H-fluoren-3-yl]dibenzofuran
CID 158206034

Frequently Asked Questions

What is the IUPAC name of (4,6,8-triphenyldibenzofuran-1-yl)methanimine?
The IUPAC name of (4,6,8-triphenyldibenzofuran-1-yl)methanimine (CID 153340539) is (4,6,8-triphenyldibenzofuran-1-yl)methanimine.
What is the SMILES notation for (4,6,8-triphenyldibenzofuran-1-yl)methanimine?
The canonical SMILES for (4,6,8-triphenyldibenzofuran-1-yl)methanimine is [H]/N=C/c1ccc(-c2ccccc2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12.
What is the InChIKey of (4,6,8-triphenyldibenzofuran-1-yl)methanimine?
The InChIKey is YGPRDVRQXUFIMI-UZWMFBFFSA-N. The full InChI is InChI=1S/C31H21NO/c32-20-24-16-17-26(22-12-6-2-7-13-22)31-29(24)28-19-25(21-10-4-1-5-11-21)18-27(30(28)33-31)23-14-8-3-9-15-23/h1-20,32H/b32-20+.
What are the key properties of (4,6,8-triphenyldibenzofuran-1-yl)methanimine?
(4,6,8-triphenyldibenzofuran-1-yl)methanimine has a molecular weight of 423.52 g/mol, XLogP of 8.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6,8-triphenyldibenzofuran-1-yl)methanimine is sourced from PubChem (CID 153340539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).