4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran

C44H30O2 — CID 89189228

IUPAC4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
SMILESC=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)c3cc(C(=C)C)ccc3c(-c3cccc4c3oc3ccccc34)c2c1
InChIInChI=1S/C44H30O2/c1-25(2)27-19-21-31-37(23-27)41(35-15-9-13-33-29-11-5-7-17-39(29)45-43(33)35)32-22-20-28(26(3)4)24-38(32)42(31)36-16-10-14-34-30-12-6-8-18-40(30)46-44(34)36/h5-24H,1,3H2,2,4H3
InChIKeyUQRQEXHIWSDZLS-UHFFFAOYSA-N
MW590.72 g/mol
LogP13.19
Rot. Bonds4

About 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran

4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran (PubChem CID 89189228) has the molecular formula C44H30O2 and a molecular weight of 590.72 g/mol. Its IUPAC name is 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
PubChem CID89189228
Molecular FormulaC44H30O2
Molecular Weight590.72 g/mol
Exact Mass590.22
IUPAC Name4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
SMILESC=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)c3cc(C(=C)C)ccc3c(-c3cccc4c3oc3ccccc34)c2c1
InChIInChI=1S/C44H30O2/c1-25(2)27-19-21-31-37(23-27)41(35-15-9-13-33-29-11-5-7-17-39(29)45-43(33)35)32-22-20-28(26(3)4)24-38(32)42(31)36-16-10-14-34-30-12-6-8-18-40(30)46-44(34)36/h5-24H,1,3H2,2,4H3
InChIKeyUQRQEXHIWSDZLS-UHFFFAOYSA-N
XLogP13.19
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran with MolForge

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Related Compounds

4-[10-naphthalen-2-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran
CID 88910899
4-(6-tert-butyl-10-phenanthren-9-yl-2-prop-1-en-2-ylanthracen-9-yl)dibenzofuran
CID 88894497
1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
CID 154960405
2-prop-1-en-2-yldibenzofuran
CID 142504770
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-anthracen-9-yldibenzofuran
CID 167187282
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
5-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[2,3-e][1]benzofuran
CID 176744255
4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195028

Frequently Asked Questions

What is the IUPAC name of 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran (CID 89189228) is 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran is C=C(C)c1ccc2c(-c3cccc4c3oc3ccccc34)c3cc(C(=C)C)ccc3c(-c3cccc4c3oc3ccccc34)c2c1.
What is the InChIKey of 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is UQRQEXHIWSDZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O2/c1-25(2)27-19-21-31-37(23-27)41(35-15-9-13-33-29-11-5-7-17-39(29)45-43(33)35)32-22-20-28(26(3)4)24-38(32)42(31)36-16-10-14-34-30-12-6-8-18-40(30)46-44(34)36/h5-24H,1,3H2,2,4H3.
What are the key properties of 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran?
4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 590.72 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-dibenzofuran-4-yl-2,6-bis(prop-1-en-2-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 89189228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).