6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran

C44H28O — CID 170187740

IUPAC6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H28O/c1-3-12-30(13-4-1)34-20-11-21-39-40-28-33(26-27-41(40)45-44(34)39)29-22-24-32(25-23-29)43-37-18-9-7-16-35(37)42(31-14-5-2-6-15-31)36-17-8-10-19-38(36)43/h1-28H
InChIKeyKTOOZZXQEASDHQ-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

About 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran

6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 170187740) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID170187740
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H28O/c1-3-12-30(13-4-1)34-20-11-21-39-40-28-33(26-27-41(40)45-44(34)39)29-22-24-32(25-23-29)43-37-18-9-7-16-35(37)42(31-14-5-2-6-15-31)36-17-8-10-19-38(36)43/h1-28H
InChIKeyKTOOZZXQEASDHQ-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'}

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Related Compounds

2-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-6-phenyldibenzofuran
CID 170663533
2-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 160925519
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-6-phenyldibenzofuran
CID 171449649
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
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 159891150
CID 174011853
CID 174011853
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran (CID 170187740) is 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is KTOOZZXQEASDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-3-12-30(13-4-1)34-20-11-21-39-40-28-33(26-27-41(40)45-44(34)39)29-22-24-32(25-23-29)43-37-18-9-7-16-35(37)42(31-14-5-2-6-15-31)36-17-8-10-19-38(36)43/h1-28H.
What are the key properties of 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran?
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran 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 6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 170187740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).