2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one

C55H38O2 — CID 70937822

IUPAC2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one
SMILESO=C1c2ccccc2OC2C=CC(c3cccc(-c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)=CC12
InChIInChI=1S/C55H38O2/c56-55-51-25-7-8-26-53(51)57-54-28-27-47(36-52(54)55)43-21-11-19-41(31-43)42-20-12-24-46(32-42)50-34-48(44-22-9-17-39(29-44)37-13-3-1-4-14-37)33-49(35-50)45-23-10-18-40(30-45)38-15-5-2-6-16-38/h1-36,52,54H
InChIKeyPBYBPUQPDABLEH-UHFFFAOYSA-N
MW730.91 g/mol
LogP13.90
Rot. Bonds7

About 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one

2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one (PubChem CID 70937822) has the molecular formula C55H38O2 and a molecular weight of 730.91 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one.

Molecular Properties

Compound Name2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one
PubChem CID70937822
Molecular FormulaC55H38O2
Molecular Weight730.91 g/mol
Exact Mass730.29
IUPAC Name2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one
SMILESO=C1c2ccccc2OC2C=CC(c3cccc(-c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)=CC12
InChIInChI=1S/C55H38O2/c56-55-51-25-7-8-26-53(51)57-54-28-27-47(36-52(54)55)43-21-11-19-41(31-43)42-20-12-24-46(32-42)50-34-48(44-22-9-17-39(29-44)37-13-3-1-4-14-37)33-49(35-50)45-23-10-18-40(30-45)38-15-5-2-6-16-38/h1-36,52,54H
InChIKeyPBYBPUQPDABLEH-UHFFFAOYSA-N
XLogP13.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 121321591
2,4-diphenyl-6-[4-(9-triphenylen-2-yl-4a,9b-dihydrodibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135233593
9-bromo-2-[3-(3-cyclohepta-2,4,6-trien-1-ylphenyl)phenyl]-4a,9b-dihydrodibenzofuran
CID 166723075
4a,10a-dihydrochromeno[3,2-c]pyridin-10-one
CID 67608313
N-naphthalen-1-yl-8-phenyl-5a,9a-dihydrodibenzofuran-3-amine
CID 170112526
5-[4-[10-(4-naphthalen-1-ylphenyl)-2,6-diphenylanthracen-9-yl]phenyl]-2,3-diphenyl-3a,7a-dihydro-1-benzofuran
CID 122591038
15-phenyl-8-(8-triphenylen-2-yl-5a,9a-dihydrodibenzofuran-1-yl)-11-thia-13,16,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,15-heptaen-14-one
CID 171448115
2-[8-(3-carbazol-9-ylphenyl)-5a,9a-dihydrodibenzofuran-1-yl]-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
CID 165167436
2-[16-(3,5-diphenylphenyl)-7-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,5,7,10,12,14(19),15,17-octaen-11-yl]-4,6-diphenylpyrimidine
CID 71058983
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
5-phenyl-2-(3-triphenylen-2-ylphenyl)-4a,10b-dihydrophenanthridin-6-one
CID 146620678
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one?
The IUPAC name of 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one (CID 70937822) is 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one.
What is the SMILES notation for 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one?
The canonical SMILES for 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one is O=C1c2ccccc2OC2C=CC(c3cccc(-c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c5)c4)c3)=CC12.
What is the InChIKey of 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one?
The InChIKey is PBYBPUQPDABLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38O2/c56-55-51-25-7-8-26-53(51)57-54-28-27-47(36-52(54)55)43-21-11-19-41(31-43)42-20-12-24-46(32-42)50-34-48(44-22-9-17-39(29-44)37-13-3-1-4-14-37)33-49(35-50)45-23-10-18-40(30-45)38-15-5-2-6-16-38/h1-36,52,54H.
What are the key properties of 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one?
2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one has a molecular weight of 730.91 g/mol, XLogP of 13.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]phenyl]-4a,9a-dihydroxanthen-9-one is sourced from PubChem (CID 70937822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).