4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol

C47H34O2 — CID 142536435

IUPAC4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol
SMILESCc1cc(C2(c3ccc(O)c(C)c3)c3cccc(-c4ccc5ccccc5c4)c3-c3c(-c4ccc5ccccc5c4)cccc32)ccc1O
InChIInChI=1S/C47H34O2/c1-29-25-37(21-23-43(29)48)47(38-22-24-44(49)30(2)26-38)41-15-7-13-39(35-19-17-31-9-3-5-11-33(31)27-35)45(41)46-40(14-8-16-42(46)47)36-20-18-32-10-4-6-12-34(32)28-36/h3-28,48-49H,1-2H3
InChIKeyOGDKEYBWUUFAEJ-UHFFFAOYSA-N
MW630.79 g/mol
LogP11.72
Rot. Bonds4

About 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol

4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol (PubChem CID 142536435) has the molecular formula C47H34O2 and a molecular weight of 630.79 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol
PubChem CID142536435
Molecular FormulaC47H34O2
Molecular Weight630.79 g/mol
Exact Mass630.26
IUPAC Name4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol
SMILESCc1cc(C2(c3ccc(O)c(C)c3)c3cccc(-c4ccc5ccccc5c4)c3-c3c(-c4ccc5ccccc5c4)cccc32)ccc1O
InChIInChI=1S/C47H34O2/c1-29-25-37(21-23-43(29)48)47(38-22-24-44(49)30(2)26-38)41-15-7-13-39(35-19-17-31-9-3-5-11-33(31)27-35)45(41)46-40(14-8-16-42(46)47)36-20-18-32-10-4-6-12-34(32)28-36/h3-28,48-49H,1-2H3
InChIKeyOGDKEYBWUUFAEJ-UHFFFAOYSA-N
XLogP11.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 511.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol 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

2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol
CID 142536393
4-[9-(4-hydroxynaphthalen-1-yl)-4,5-dinaphthalen-2-ylfluoren-9-yl]naphthalen-1-ol
CID 142536408
5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
CID 142536400
ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 71231529
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
11-(6,7-dimethylnaphthalen-2-yl)-11-[4-[4-[9-(6,7-dimethylnaphthalen-2-yl)fluoren-9-yl]phenyl]phenyl]benzo[b]fluorene
CID 164808737
4-[9-(4-hydroxy-3-prop-2-enylphenyl)fluoren-9-yl]-2-methylphenol
CID 69497823
4-naphthalen-2-ylbenzene-1,2,3-triol
CID 54019836

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol?
The IUPAC name of 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol (CID 142536435) is 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol.
What is the SMILES notation for 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol?
The canonical SMILES for 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol is Cc1cc(C2(c3ccc(O)c(C)c3)c3cccc(-c4ccc5ccccc5c4)c3-c3c(-c4ccc5ccccc5c4)cccc32)ccc1O.
What is the InChIKey of 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol?
The InChIKey is OGDKEYBWUUFAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34O2/c1-29-25-37(21-23-43(29)48)47(38-22-24-44(49)30(2)26-38)41-15-7-13-39(35-19-17-31-9-3-5-11-33(31)27-35)45(41)46-40(14-8-16-42(46)47)36-20-18-32-10-4-6-12-34(32)28-36/h3-28,48-49H,1-2H3.
What are the key properties of 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol?
4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol has a molecular weight of 630.79 g/mol, XLogP of 11.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol is sourced from PubChem (CID 142536435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).