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

C44H28O — CID 155334783

IUPAC3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4c(cc3-c3ccccc3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28O/c1-3-15-29(16-4-1)31-19-7-8-21-33(31)43-34-22-9-11-24-36(34)44(37-25-12-10-23-35(37)43)40-27-39-32-20-13-14-26-41(32)45-42(39)28-38(40)30-17-5-2-6-18-30/h1-28H
InChIKeyZQCPVCAYEYDRDB-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

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

3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 155334783) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID155334783
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4c(cc3-c3ccccc3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C44H28O/c1-3-15-29(16-4-1)31-19-7-8-21-33(31)43-34-22-9-11-24-36(34)44(37-25-12-10-23-35(37)43)40-27-39-32-20-13-14-26-41(32)45-42(39)28-38(40)30-17-5-2-6-18-30/h1-28H
InChIKeyZQCPVCAYEYDRDB-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

2,3-diphenyldibenzofuran
CID 12699263
2-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran
CID 139397243
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-3-phenyldibenzofuran
CID 171420727
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-3-phenyldibenzofuran
CID 170653692
3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155335093
2-chloro-3-phenyldibenzofuran
CID 166918311
8-[10-(2,6-diphenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 171447445
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 155335055

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 155334783) is 3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4c(cc3-c3ccccc3)oc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of 3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is ZQCPVCAYEYDRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-3-15-29(16-4-1)31-19-7-8-21-33(31)43-34-22-9-11-24-36(34)44(37-25-12-10-23-35(37)43)40-27-39-32-20-13-14-26-41(32)45-42(39)28-38(40)30-17-5-2-6-18-30/h1-28H.
What are the key properties of 3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]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 3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 155334783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).