7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran

C44H28O — CID 168795741

IUPAC7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
SMILESc1ccc(-c2ccc3oc4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc4c3c2)cc1
InChIInChI=1S/C44H28O/c1-4-12-29(13-5-1)32-22-25-41-39(26-32)35-23-20-34(28-42(35)45-41)33-21-24-38-40(27-33)44(31-16-8-3-9-17-31)37-19-11-10-18-36(37)43(38)30-14-6-2-7-15-30/h1-28H
InChIKeyNVEXWOAYOBBXDR-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

About 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran

7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran (PubChem CID 168795741) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran.

Molecular Properties

Compound Name7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
PubChem CID168795741
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
SMILESc1ccc(-c2ccc3oc4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc4c3c2)cc1
InChIInChI=1S/C44H28O/c1-4-12-29(13-5-1)32-22-25-41-39(26-32)35-23-20-34(28-42(35)45-41)33-21-24-38-40(27-33)44(31-16-8-3-9-17-31)37-19-11-10-18-36(37)43(38)30-14-6-2-7-15-30/h1-28H
InChIKeyNVEXWOAYOBBXDR-UHFFFAOYSA-N
XLogP12.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-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 122415848
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
3-[6-[4-[10-dibenzofuran-3-yl-3-(9-dibenzofuran-3-yl-10-phenylanthracen-2-yl)anthracen-9-yl]phenyl]naphthalen-2-yl]-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 175620760
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

Frequently Asked Questions

What is the IUPAC name of 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran?
The IUPAC name of 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran (CID 168795741) is 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran.
What is the SMILES notation for 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran?
The canonical SMILES for 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran is c1ccc(-c2ccc3oc4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc4c3c2)cc1.
What is the InChIKey of 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran?
The InChIKey is NVEXWOAYOBBXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-4-12-29(13-5-1)32-22-25-41-39(26-32)35-23-20-34(28-42(35)45-41)33-21-24-38-40(27-33)44(31-16-8-3-9-17-31)37-19-11-10-18-36(37)43(38)30-14-6-2-7-15-30/h1-28H.
What are the key properties of 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran?
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran has a molecular weight of 572.71 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran is sourced from PubChem (CID 168795741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).