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

C44H28O — CID 135208803

IUPAC2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C44H28O/c1-2-10-29(11-3-1)30-18-20-31(21-19-30)32-22-24-33(25-23-32)43-36-13-4-6-15-38(36)44(39-16-7-5-14-37(39)43)34-26-27-42-40(28-34)35-12-8-9-17-41(35)45-42/h1-28H
InChIKeyPCGMFHPZTXYBPH-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

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

2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 135208803) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
PubChem CID135208803
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C44H28O/c1-2-10-29(11-3-1)30-18-20-31(21-19-30)32-22-24-33(25-23-32)43-36-13-4-6-15-38(36)44(39-16-7-5-14-37(39)43)34-26-27-42-40(28-34)35-12-8-9-17-41(35)45-42/h1-28H
InChIKeyPCGMFHPZTXYBPH-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

6-[3-(10-phenylanthracen-9-yl)phenyl]-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 122415782
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
7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
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
19-(10-phenylanthracen-9-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146460952
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
16-[10-(4-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426254

Frequently Asked Questions

What is the IUPAC name of 2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran (CID 135208803) is 2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran?
The InChIKey is PCGMFHPZTXYBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-2-10-29(11-3-1)30-18-20-31(21-19-30)32-22-24-33(25-23-32)43-36-13-4-6-15-38(36)44(39-16-7-5-14-37(39)43)34-26-27-42-40(28-34)35-12-8-9-17-41(35)45-42/h1-28H.
What are the key properties of 2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran?
2-[10-[4-(4-phenylphenyl)phenyl]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 2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 135208803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).