8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one

C43H26O3 — CID 121242345

IUPAC8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
SMILESO=c1oc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2c2ccc(-c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C43H26O3/c44-43-39-25-29(30-17-20-41-38(24-30)36-13-7-8-14-40(36)45-41)15-18-35(39)37-19-16-31(26-42(37)46-43)34-22-32(27-9-3-1-4-10-27)21-33(23-34)28-11-5-2-6-12-28/h1-26H
InChIKeySSFBLQLYRGLMOD-UHFFFAOYSA-N
MW590.68 g/mol
LogP11.51
Rot. Bonds4

About 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one

8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one (PubChem CID 121242345) has the molecular formula C43H26O3 and a molecular weight of 590.68 g/mol. Its IUPAC name is 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
PubChem CID121242345
Molecular FormulaC43H26O3
Molecular Weight590.68 g/mol
Exact Mass590.19
IUPAC Name8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
SMILESO=c1oc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2c2ccc(-c3ccc4oc5ccccc5c4c3)cc12
InChIInChI=1S/C43H26O3/c44-43-39-25-29(30-17-20-41-38(24-30)36-13-7-8-14-40(36)45-41)15-18-35(39)37-19-16-31(26-42(37)46-43)34-22-32(27-9-3-1-4-10-27)21-33(23-34)28-11-5-2-6-12-28/h1-26H
InChIKeySSFBLQLYRGLMOD-UHFFFAOYSA-N
XLogP11.51
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.68
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
CID 121242474
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
11-dibenzofuran-2-yl-5,17-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
CID 118390329
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
2-[7-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364883
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one?
The IUPAC name of 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one (CID 121242345) is 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one.
What is the SMILES notation for 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one?
The canonical SMILES for 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one is O=c1oc2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2c2ccc(-c3ccc4oc5ccccc5c4c3)cc12.
What is the InChIKey of 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one?
The InChIKey is SSFBLQLYRGLMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26O3/c44-43-39-25-29(30-17-20-41-38(24-30)36-13-7-8-14-40(36)45-41)15-18-35(39)37-19-16-31(26-42(37)46-43)34-22-32(27-9-3-1-4-10-27)21-33(23-34)28-11-5-2-6-12-28/h1-26H.
What are the key properties of 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one?
8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one has a molecular weight of 590.68 g/mol, XLogP of 11.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one is sourced from PubChem (CID 121242345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).