4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol

C57H38O2 — CID 142536353

IUPAC4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
SMILESOc1ccc(C2(c3ccc(O)c(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)cc3-c3cc(-c4cccc5ccccc45)ccc32)cc1-c1ccccc1
InChIInChI=1S/C57H38O2/c58-55-31-27-43(35-49(55)39-13-3-1-4-14-39)57(44-28-32-56(59)50(36-44)40-15-5-2-6-16-40)53-29-25-41(47-23-11-19-37-17-7-9-21-45(37)47)33-51(53)52-34-42(26-30-54(52)57)48-24-12-20-38-18-8-10-22-46(38)48/h1-36,58-59H
InChIKeyOHRYTBTZJRIDRR-UHFFFAOYSA-N
MW754.93 g/mol
LogP14.44
Rot. Bonds6

About 4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol

4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol (PubChem CID 142536353) has the molecular formula C57H38O2 and a molecular weight of 754.93 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
PubChem CID142536353
Molecular FormulaC57H38O2
Molecular Weight754.93 g/mol
Exact Mass754.29
IUPAC Name4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
SMILESOc1ccc(C2(c3ccc(O)c(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)cc3-c3cc(-c4cccc5ccccc45)ccc32)cc1-c1ccccc1
InChIInChI=1S/C57H38O2/c58-55-31-27-43(35-49(55)39-13-3-1-4-14-39)57(44-28-32-56(59)50(36-44)40-15-5-2-6-16-40)53-29-25-41(47-23-11-19-37-17-7-9-21-45(37)47)33-51(53)52-34-42(26-30-54(52)57)48-24-12-20-38-18-8-10-22-46(38)48/h1-36,58-59H
InChIKeyOHRYTBTZJRIDRR-UHFFFAOYSA-N
XLogP14.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 514.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
CID 142536400
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine
CID 140919922
4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261219
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
1-[9-(2-hydroxynaphthalen-1-yl)-2,7-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 176888059
2-[4-[9-[4-(2-hydroxyethoxy)-3,5-bis(4-naphthalen-1-ylphenyl)phenyl]fluoren-9-yl]-2,6-bis(4-naphthalen-1-ylphenyl)phenoxy]ethanol
CID 172515739
2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465843

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol?
The IUPAC name of 4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol (CID 142536353) is 4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol.
What is the SMILES notation for 4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol?
The canonical SMILES for 4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol is Oc1ccc(C2(c3ccc(O)c(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)cc3-c3cc(-c4cccc5ccccc45)ccc32)cc1-c1ccccc1.
What is the InChIKey of 4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol?
The InChIKey is OHRYTBTZJRIDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38O2/c58-55-31-27-43(35-49(55)39-13-3-1-4-14-39)57(44-28-32-56(59)50(36-44)40-15-5-2-6-16-40)53-29-25-41(47-23-11-19-37-17-7-9-21-45(37)47)33-51(53)52-34-42(26-30-54(52)57)48-24-12-20-38-18-8-10-22-46(38)48/h1-36,58-59H.
What are the key properties of 4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol?
4-[9-(4-hydroxy-3-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol has a molecular weight of 754.93 g/mol, XLogP of 14.44, 6 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-phenylphenyl)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol is sourced from PubChem (CID 142536353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).