2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol

C39H26O2 — CID 121360558

IUPAC2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol
SMILESCc1c(-c2ccccc2O)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2oc3ccccc3c12
InChIInChI=1S/C39H26O2/c1-24-32(26-15-9-11-21-34(26)40)23-33(39-36(24)31-20-10-12-22-35(31)41-39)38-29-18-7-5-16-27(29)37(25-13-3-2-4-14-25)28-17-6-8-19-30(28)38/h2-23,40H,1H3
InChIKeyCPYMPONMHKBQFR-UHFFFAOYSA-N
MW526.64 g/mol
LogP10.91
Rot. Bonds3

About 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol

2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol (PubChem CID 121360558) has the molecular formula C39H26O2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol.

Molecular Properties

Compound Name2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol
PubChem CID121360558
Molecular FormulaC39H26O2
Molecular Weight526.64 g/mol
Exact Mass526.19
IUPAC Name2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol
SMILESCc1c(-c2ccccc2O)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2oc3ccccc3c12
InChIInChI=1S/C39H26O2/c1-24-32(26-15-9-11-21-34(26)40)23-33(39-36(24)31-20-10-12-22-35(31)41-39)38-29-18-7-5-16-27(29)37(25-13-3-2-4-14-25)28-17-6-8-19-30(28)38/h2-23,40H,1H3
InChIKeyCPYMPONMHKBQFR-UHFFFAOYSA-N
XLogP10.91
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 510.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol 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

2-[1-methyl-4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran-2-yl]phenol
CID 121279988
11-(10-phenylanthracen-9-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130212291
1-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-b][1]benzofuran
CID 166872380
5-(10-phenylanthracen-9-yl)-[1]benzofuro[3,2-g][1]benzofuran
CID 176744949
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 130185376
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
11-(10-dibenzofuran-1-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166897090
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
4-methyl-2-(2-methyl-1-benzofuran-3-yl)phenol
CID 174914291
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 122415610
2-[10-(5-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]-3,5,6-trimethylbenzene-1,4-diol
CID 145126487

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol?
The IUPAC name of 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol (CID 121360558) is 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol.
What is the SMILES notation for 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol?
The canonical SMILES for 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol is Cc1c(-c2ccccc2O)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2oc3ccccc3c12.
What is the InChIKey of 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol?
The InChIKey is CPYMPONMHKBQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26O2/c1-24-32(26-15-9-11-21-34(26)40)23-33(39-36(24)31-20-10-12-22-35(31)41-39)38-29-18-7-5-16-27(29)37(25-13-3-2-4-14-25)28-17-6-8-19-30(28)38/h2-23,40H,1H3.
What are the key properties of 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol?
2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol has a molecular weight of 526.64 g/mol, XLogP of 10.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]phenol is sourced from PubChem (CID 121360558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).