8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine

C48H32N2O4 — CID 142313941

IUPAC8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESC=C/C=c1/oc2c(-c3nc(-c4cccc5c(C=C)c(/C=C\C)oc45)nc4c3oc3ccc(-c5cccc6c5oc5ccccc56)cc34)cccc2/c1=C/C
InChIInChI=1S/C48H32N2O4/c1-5-14-38-28(7-3)32-18-12-21-35(45(32)51-38)42-47-43(50-48(49-42)36-22-13-19-33-29(8-4)39(15-6-2)52-46(33)36)37-26-27(24-25-41(37)54-47)30-17-11-20-34-31-16-9-10-23-40(31)53-44(30)34/h5-26H,1,4H2,2-3H3/b15-6-,28-7-,38-14+
InChIKeyNXSXYXLZGVMIGE-PACHFDOCSA-N
MW700.79 g/mol
LogP12.21
Rot. Bonds6

About 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine

8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 142313941) has the molecular formula C48H32N2O4 and a molecular weight of 700.79 g/mol. Its IUPAC name is 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID142313941
Molecular FormulaC48H32N2O4
Molecular Weight700.79 g/mol
Exact Mass700.24
IUPAC Name8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESC=C/C=c1/oc2c(-c3nc(-c4cccc5c(C=C)c(/C=C\C)oc45)nc4c3oc3ccc(-c5cccc6c5oc5ccccc56)cc34)cccc2/c1=C/C
InChIInChI=1S/C48H32N2O4/c1-5-14-38-28(7-3)32-18-12-21-35(45(32)51-38)42-47-43(50-48(49-42)36-22-13-19-33-29(8-4)39(15-6-2)52-46(33)36)37-26-27(24-25-41(37)54-47)30-17-11-20-34-31-16-9-10-23-40(31)53-44(30)34/h5-26H,1,4H2,2-3H3/b15-6-,28-7-,38-14+
InChIKeyNXSXYXLZGVMIGE-PACHFDOCSA-N
XLogP12.21
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.79
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

4-dibenzofuran-4-yl-8-[(8E)-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-7-methylidene-8-prop-2-enylidenecarbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 142314031
2-(3-dibenzofuran-4-ylphenyl)-6-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142502845
2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine
CID 175626911
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155049988
2-dibenzofuran-4-yl-4-[6-[4-[2-[3-[2-[4-[5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
CID 139352249
2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978721
3-ethenyl-8-[10-(3-phenylphenyl)anthracen-9-yl]-2-[(Z)-prop-1-enyl]-[1]benzofuro[7,6-b][1]benzofuran
CID 170224009
2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163218425
2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-4-(2-ethenyl-3-ethyl-1-benzofuran-6-yl)-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 175627969
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 129128925
3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 156556318
3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 146215674

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 142313941) is 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine is C=C/C=c1/oc2c(-c3nc(-c4cccc5c(C=C)c(/C=C\C)oc45)nc4c3oc3ccc(-c5cccc6c5oc5ccccc56)cc34)cccc2/c1=C/C.
What is the InChIKey of 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is NXSXYXLZGVMIGE-PACHFDOCSA-N. The full InChI is InChI=1S/C48H32N2O4/c1-5-14-38-28(7-3)32-18-12-21-35(45(32)51-38)42-47-43(50-48(49-42)36-22-13-19-33-29(8-4)39(15-6-2)52-46(33)36)37-26-27(24-25-41(37)54-47)30-17-11-20-34-31-16-9-10-23-40(31)53-44(30)34/h5-26H,1,4H2,2-3H3/b15-6-,28-7-,38-14+.
What are the key properties of 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine?
8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 700.79 g/mol, XLogP of 12.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-4-yl-2-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-4-[(2E,3Z)-3-ethylidene-2-prop-2-enylidene-1-benzofuran-7-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 142313941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).