4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol

C57H38O2 — CID 142536400

IUPAC4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
SMILESOc1ccc(C2(c3ccc(O)c(-c4ccccc4)c3)c3cccc(-c4cccc5ccccc45)c3-c3c(-c4cccc5ccccc45)cccc32)cc1-c1ccccc1
InChIInChI=1S/C57H38O2/c58-53-33-31-41(35-49(53)39-15-3-1-4-16-39)57(42-32-34-54(59)50(36-42)40-17-5-2-6-18-40)51-29-13-27-47(45-25-11-21-37-19-7-9-23-43(37)45)55(51)56-48(28-14-30-52(56)57)46-26-12-22-38-20-8-10-24-44(38)46/h1-36,58-59H
InChIKeySDLHTMKZPLMYLG-UHFFFAOYSA-N
MW754.93 g/mol
LogP14.44
Rot. Bonds6

About 4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol

4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol (PubChem CID 142536400) has the molecular formula C57H38O2 and a molecular weight of 754.93 g/mol. Its IUPAC name is 4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol.

Molecular Properties

Compound Name4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
PubChem CID142536400
Molecular FormulaC57H38O2
Molecular Weight754.93 g/mol
Exact Mass754.29
IUPAC Name4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
SMILESOc1ccc(C2(c3ccc(O)c(-c4ccccc4)c3)c3cccc(-c4cccc5ccccc45)c3-c3c(-c4cccc5ccccc45)cccc32)cc1-c1ccccc1
InChIInChI=1S/C57H38O2/c58-53-33-31-41(35-49(53)39-15-3-1-4-16-39)57(42-32-34-54(59)50(36-42)40-17-5-2-6-18-40)51-29-13-27-47(45-25-11-21-37-19-7-9-23-43(37)45)55(51)56-48(28-14-30-52(56)57)46-26-12-22-38-20-8-10-24-44(38)46/h1-36,58-59H
InChIKeySDLHTMKZPLMYLG-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)-3,6-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol
CID 142536353
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol
CID 142536387
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163464467
4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779543
4-[9-(4-hydroxy-3-methylphenyl)-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenol
CID 142536435
9-(2,6-dinaphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 171447346
2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779212
4-[9-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]fluoren-9-yl]-2-[3-(trifluoromethyl)phenyl]phenol
CID 170563548
1,1'-biphenyl;1-(2-naphthalen-1-yl-3-phenylphenyl)naphthalene
CID 173119187
4-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 169019822
N-naphthalen-1-yl-N-[2-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019661
2-(2-naphthalen-1-ylphenyl)phenol
CID 122204114

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol?
The IUPAC name of 4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol (CID 142536400) is 4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol.
What is the SMILES notation for 4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol?
The canonical SMILES for 4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol is Oc1ccc(C2(c3ccc(O)c(-c4ccccc4)c3)c3cccc(-c4cccc5ccccc45)c3-c3c(-c4cccc5ccccc45)cccc32)cc1-c1ccccc1.
What is the InChIKey of 4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol?
The InChIKey is SDLHTMKZPLMYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38O2/c58-53-33-31-41(35-49(53)39-15-3-1-4-16-39)57(42-32-34-54(59)50(36-42)40-17-5-2-6-18-40)51-29-13-27-47(45-25-11-21-37-19-7-9-23-43(37)45)55(51)56-48(28-14-30-52(56)57)46-26-12-22-38-20-8-10-24-44(38)46/h1-36,58-59H.
What are the key properties of 4-[9-(4-hydroxy-3-phenylphenyl)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol?
4-[9-(4-hydroxy-3-phenylphenyl)-4,5-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)-4,5-dinaphthalen-1-ylfluoren-9-yl]-2-phenylphenol is sourced from PubChem (CID 142536400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).