1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine

C35H22N2O4 — CID 134524777

IUPAC1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine
SMILESC=Cc1oc2ccc(Oc3ccc4oc5ccc(-c6ccc7oc8ccncc8c7c6)cc5c4c3)cc2c1/C=N/C
InChIInChI=1S/C35H22N2O4/c1-3-30-28(18-36-2)27-17-23(7-11-34(27)39-30)38-22-6-10-33-26(16-22)24-14-20(4-8-31(24)40-33)21-5-9-32-25(15-21)29-19-37-13-12-35(29)41-32/h3-19H,1H2,2H3/b36-18+
InChIKeyDELJPLDAHGXFSA-IZYHBKOJSA-N
MW534.57 g/mol
LogP9.78
Rot. Bonds5

About 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine

1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine (PubChem CID 134524777) has the molecular formula C35H22N2O4 and a molecular weight of 534.57 g/mol. Its IUPAC name is 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine
PubChem CID134524777
Molecular FormulaC35H22N2O4
Molecular Weight534.57 g/mol
Exact Mass534.16
IUPAC Name1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine
SMILESC=Cc1oc2ccc(Oc3ccc4oc5ccc(-c6ccc7oc8ccncc8c7c6)cc5c4c3)cc2c1/C=N/C
InChIInChI=1S/C35H22N2O4/c1-3-30-28(18-36-2)27-17-23(7-11-34(27)39-30)38-22-6-10-33-26(16-22)24-14-20(4-8-31(24)40-33)21-5-9-32-25(15-21)29-19-37-13-12-35(29)41-32/h3-19H,1H2,2H3/b36-18+
InChIKeyDELJPLDAHGXFSA-IZYHBKOJSA-N
XLogP9.78
TPSA73.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.57
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90265596
8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90291990
[1]benzofuro[3,2-c]pyridine-8-thiol;prop-1-ene
CID 145358217
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane
CID 144553602
[5-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]-2-methyl-1-benzofuran-3-yl]methanimine
CID 144553574
CID 145132459
CID 145132459
5-[2-ethenyl-1-[(Z)-prop-1-enyl]-[1]benzofuro[3,2-e][1]benzofuran-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167256599
9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 88594610
ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123322356
2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine
CID 166654735
6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
CID 90250427

Frequently Asked Questions

What is the IUPAC name of 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine?
The IUPAC name of 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine (CID 134524777) is 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine?
The canonical SMILES for 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine is C=Cc1oc2ccc(Oc3ccc4oc5ccc(-c6ccc7oc8ccncc8c7c6)cc5c4c3)cc2c1/C=N/C.
What is the InChIKey of 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine?
The InChIKey is DELJPLDAHGXFSA-IZYHBKOJSA-N. The full InChI is InChI=1S/C35H22N2O4/c1-3-30-28(18-36-2)27-17-23(7-11-34(27)39-30)38-22-6-10-33-26(16-22)24-14-20(4-8-31(24)40-33)21-5-9-32-25(15-21)29-19-37-13-12-35(29)41-32/h3-19H,1H2,2H3/b36-18+.
What are the key properties of 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine?
1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine has a molecular weight of 534.57 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine is sourced from PubChem (CID 134524777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).