1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine

C28H22N2O — CID 58849536

IUPAC1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine
SMILESCc1cc2oc3cc(/C=N/c4ccccc4)c(/C=N/c4ccccc4)cc3c2cc1C
InChIInChI=1S/C28H22N2O/c1-19-13-25-26-15-21(17-29-23-9-5-3-6-10-23)22(18-30-24-11-7-4-8-12-24)16-28(26)31-27(25)14-20(19)2/h3-18H,1-2H3/b29-17+,30-18+
InChIKeyBYVQWVJGMZLHDO-YAGSLNJISA-N
MW402.50 g/mol
LogP7.70
Rot. Bonds4

About 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine

1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine (PubChem CID 58849536) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine
PubChem CID58849536
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine
SMILESCc1cc2oc3cc(/C=N/c4ccccc4)c(/C=N/c4ccccc4)cc3c2cc1C
InChIInChI=1S/C28H22N2O/c1-19-13-25-26-15-21(17-29-23-9-5-3-6-10-23)22(18-30-24-11-7-4-8-12-24)16-28(26)31-27(25)14-20(19)2/h3-18H,1-2H3/b29-17+,30-18+
InChIKeyBYVQWVJGMZLHDO-YAGSLNJISA-N
XLogP7.70
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

19,20-dimethyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154959627
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-phenylmethanimine
CID 126109555
1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340663
4-methyl-2-(phenyliminomethyl)aniline
CID 139726369
5-methyl-3-(phenyliminomethyl)thiophen-2-ol
CID 778790
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
1-[3,7-dimethyl-5,5-diphenyl-2-(phenyliminomethyl)benzo[b][1]benzosilol-8-yl]-N-phenylmethanimine
CID 59167438
1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine
CID 956036
1-(1-benzofuran-2-yl)-N-phenylmethanimine
CID 102313408
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
N-(4-chlorophenyl)-1-dibenzofuran-2-ylmethanimine
CID 12703740

Frequently Asked Questions

What is the IUPAC name of 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine?
The IUPAC name of 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine (CID 58849536) is 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine is Cc1cc2oc3cc(/C=N/c4ccccc4)c(/C=N/c4ccccc4)cc3c2cc1C.
What is the InChIKey of 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine?
The InChIKey is BYVQWVJGMZLHDO-YAGSLNJISA-N. The full InChI is InChI=1S/C28H22N2O/c1-19-13-25-26-15-21(17-29-23-9-5-3-6-10-23)22(18-30-24-11-7-4-8-12-24)16-28(26)31-27(25)14-20(19)2/h3-18H,1-2H3/b29-17+,30-18+.
What are the key properties of 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine?
1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine has a molecular weight of 402.50 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7,8-dimethyl-3-(phenyliminomethyl)dibenzofuran-2-yl]-N-phenylmethanimine is sourced from PubChem (CID 58849536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).