4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran

C39H26O — CID 143811472

IUPAC4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
SMILESCc1ccccc1-c1c2ccccc2c(-c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccccc12
InChIInChI=1S/C39H26O/c1-25-12-2-3-15-28(25)38-33-19-6-4-17-31(33)37(32-18-5-7-20-34(32)38)27-14-10-13-26(24-27)29-21-11-22-35-30-16-8-9-23-36(30)40-39(29)35/h2-24H,1H3
InChIKeyBIUKPOFQQBERLG-UHFFFAOYSA-N
MW510.64 g/mol
LogP11.20
Rot. Bonds3

About 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran

4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 143811472) has the molecular formula C39H26O and a molecular weight of 510.64 g/mol. Its IUPAC name is 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
PubChem CID143811472
Molecular FormulaC39H26O
Molecular Weight510.64 g/mol
Exact Mass510.20
IUPAC Name4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
SMILESCc1ccccc1-c1c2ccccc2c(-c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccccc12
InChIInChI=1S/C39H26O/c1-25-12-2-3-15-28(25)38-33-19-6-4-17-31(33)37(32-18-5-7-20-34(32)38)27-14-10-13-26(24-27)29-21-11-22-35-30-16-8-9-23-36(30)40-39(29)35/h2-24H,1H3
InChIKeyBIUKPOFQQBERLG-UHFFFAOYSA-N
XLogP11.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 511.20
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

4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155333147
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-[10-[3-(21,21-dimethyl-16-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(21,21-dimethyl-16-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 161381267
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746

Frequently Asked Questions

What is the IUPAC name of 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran (CID 143811472) is 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran is Cc1ccccc1-c1c2ccccc2c(-c2cccc(-c3cccc4c3oc3ccccc34)c2)c2ccccc12.
What is the InChIKey of 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
The InChIKey is BIUKPOFQQBERLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26O/c1-25-12-2-3-15-28(25)38-33-19-6-4-17-31(33)37(32-18-5-7-20-34(32)38)27-14-10-13-26(24-27)29-21-11-22-35-30-16-8-9-23-36(30)40-39(29)35/h2-24H,1H3.
What are the key properties of 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran?
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran has a molecular weight of 510.64 g/mol, XLogP of 11.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran is sourced from PubChem (CID 143811472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).