7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol

C48H30O2 — CID 174167550

IUPAC7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol
SMILESOc1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)c4ccccc4c3)c3ccccc23)c2c1oc1cc(-c3ccccc3)ccc12
InChIInChI=1S/C48H30O2/c49-43-26-25-41(47-40-24-23-32(29-44(40)50-48(43)47)30-13-3-1-4-14-30)46-38-21-11-9-19-36(38)45(37-20-10-12-22-39(37)46)34-27-33-17-7-8-18-35(33)42(28-34)31-15-5-2-6-16-31/h1-29,49H
InChIKeyPDFPSLXGOROHDT-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.42
Rot. Bonds4

About 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol

7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol (PubChem CID 174167550) has the molecular formula C48H30O2 and a molecular weight of 638.77 g/mol. Its IUPAC name is 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol.

Molecular Properties

Compound Name7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol
PubChem CID174167550
Molecular FormulaC48H30O2
Molecular Weight638.77 g/mol
Exact Mass638.22
IUPAC Name7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol
SMILESOc1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)c4ccccc4c3)c3ccccc23)c2c1oc1cc(-c3ccccc3)ccc12
InChIInChI=1S/C48H30O2/c49-43-26-25-41(47-40-24-23-32(29-44(40)50-48(43)47)30-13-3-1-4-14-30)46-38-21-11-9-19-36(38)45(37-20-10-12-22-39(37)46)34-27-33-17-7-8-18-35(33)42(28-34)31-15-5-2-6-16-31/h1-29,49H
InChIKeyPDFPSLXGOROHDT-UHFFFAOYSA-N
XLogP13.42
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.42
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

9-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174167817
1-(10-naphthalen-2-ylanthracen-9-yl)-3-phenyldibenzofuran;1-(10-naphthalen-2-ylanthracen-9-yl)-4-phenyldibenzofuran;3-naphthalen-2-yl-1-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 158475417
7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 155205375
6-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 122425914
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662521
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;3-naphthalen-2-yl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran;4-phenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160759969
4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]-1-[4-[3-phenyl-4-[10-(1-phenyldibenzofuran-4-yl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 155454220
4-[3-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-25-oxahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
CID 130188810
2-(10-naphthalen-1-ylanthracen-9-yl)-4-(4-phenylnaphthalen-2-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
CID 158350567
6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155335028
1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol
CID 171447261
1-dibenzofuran-1-yl-4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;1-dibenzofuran-2-yl-4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;1-dibenzofuran-3-yl-4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;1-dibenzofuran-4-yl-4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-dibenzofuran-2-yl-1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-dibenzofuran-3-yl-1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-dibenzofuran-4-yl-1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;1-dibenzofuran-1-yl-4-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-dibenzofuran-1-yl-1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-(4-dibenzofuran-4-ylphenyl)-4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
CID 159857698

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol?
The IUPAC name of 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol (CID 174167550) is 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol.
What is the SMILES notation for 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol?
The canonical SMILES for 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol is Oc1ccc(-c2c3ccccc3c(-c3cc(-c4ccccc4)c4ccccc4c3)c3ccccc23)c2c1oc1cc(-c3ccccc3)ccc12.
What is the InChIKey of 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol?
The InChIKey is PDFPSLXGOROHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O2/c49-43-26-25-41(47-40-24-23-32(29-44(40)50-48(43)47)30-13-3-1-4-14-30)46-38-21-11-9-19-36(38)45(37-20-10-12-22-39(37)46)34-27-33-17-7-8-18-35(33)42(28-34)31-15-5-2-6-16-31/h1-29,49H.
What are the key properties of 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol?
7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol has a molecular weight of 638.77 g/mol, XLogP of 13.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran-4-ol is sourced from PubChem (CID 174167550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).