2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol

C44H28O2 — CID 174167607

IUPAC2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol
SMILESOc1cc(-c2c3ccccc3c(-c3ccc4oc5cc(-c6ccccc6)ccc5c4c3)c3ccccc23)ccc1-c1ccccc1
InChIInChI=1S/C44H28O2/c45-40-26-32(20-22-33(40)29-13-5-2-6-14-29)44-37-17-9-7-15-35(37)43(36-16-8-10-18-38(36)44)31-21-24-41-39(25-31)34-23-19-30(27-42(34)46-41)28-11-3-1-4-12-28/h1-27,45H
InChIKeyNMEZMGDULUDTAG-UHFFFAOYSA-N
MW588.71 g/mol
LogP12.27
Rot. Bonds4

About 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol

2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol (PubChem CID 174167607) has the molecular formula C44H28O2 and a molecular weight of 588.71 g/mol. Its IUPAC name is 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol.

Molecular Properties

Compound Name2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol
PubChem CID174167607
Molecular FormulaC44H28O2
Molecular Weight588.71 g/mol
Exact Mass588.21
IUPAC Name2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol
SMILESOc1cc(-c2c3ccccc3c(-c3ccc4oc5cc(-c6ccccc6)ccc5c4c3)c3ccccc23)ccc1-c1ccccc1
InChIInChI=1S/C44H28O2/c45-40-26-32(20-22-33(40)29-13-5-2-6-14-29)44-37-17-9-7-15-35(37)43(36-16-8-10-18-38(36)44)31-21-24-41-39(25-31)34-23-19-30(27-42(34)46-41)28-11-3-1-4-12-28/h1-27,45H
InChIKeyNMEZMGDULUDTAG-UHFFFAOYSA-N
XLogP12.27
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 512.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(9,10-diphenylanthracen-2-yl)-2-phenyldibenzofuran
CID 168795741
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-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-(10-phenylanthracen-9-yl)-7-(4-phenylphenyl)dibenzofuran;2-(10-phenylanthracen-9-yl)-8-(3-phenylphenyl)dibenzofuran;8-(10-phenylanthracen-9-yl)-1-(2-phenylphenyl)dibenzofuran
CID 157351443
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
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-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol?
The IUPAC name of 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol (CID 174167607) is 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol.
What is the SMILES notation for 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol?
The canonical SMILES for 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol is Oc1cc(-c2c3ccccc3c(-c3ccc4oc5cc(-c6ccccc6)ccc5c4c3)c3ccccc23)ccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol?
The InChIKey is NMEZMGDULUDTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O2/c45-40-26-32(20-22-33(40)29-13-5-2-6-14-29)44-37-17-9-7-15-35(37)43(36-16-8-10-18-38(36)44)31-21-24-41-39(25-31)34-23-19-30(27-42(34)46-41)28-11-3-1-4-12-28/h1-27,45H.
What are the key properties of 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol?
2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol has a molecular weight of 588.71 g/mol, XLogP of 12.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[10-(7-phenyldibenzofuran-2-yl)anthracen-9-yl]phenol is sourced from PubChem (CID 174167607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).