3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran

C44H26O2 — CID 170249915

IUPAC3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C44H26O2/c1-2-12-27(13-3-1)42-32-15-4-6-17-34(32)43(35-18-7-5-16-33(35)42)37-24-29(26-41-44(37)36-19-9-11-21-39(36)46-41)28-22-23-31-30-14-8-10-20-38(30)45-40(31)25-28/h1-26H
InChIKeyLNLZJVLMEMMJOM-UHFFFAOYSA-N
MW586.69 g/mol
LogP12.79
Rot. Bonds3

About 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran

3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 170249915) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID170249915
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C44H26O2/c1-2-12-27(13-3-1)42-32-15-4-6-17-34(32)43(35-18-7-5-16-33(35)42)37-24-29(26-41-44(37)36-19-9-11-21-39(36)46-41)28-22-23-31-30-14-8-10-20-38(30)45-40(31)25-28/h1-26H
InChIKeyLNLZJVLMEMMJOM-UHFFFAOYSA-N
XLogP12.79
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
1-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
3-(4-deuteriophenyl)-1-[10-[3-(4-deuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653941
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122425914

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran (CID 170249915) is 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc4oc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is LNLZJVLMEMMJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c1-2-12-27(13-3-1)42-32-15-4-6-17-34(32)43(35-18-7-5-16-33(35)42)37-24-29(26-41-44(37)36-19-9-11-21-39(36)46-41)28-22-23-31-30-14-8-10-20-38(30)45-40(31)25-28/h1-26H.
What are the key properties of 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran?
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 586.69 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 170249915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).