2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol

C57H42O4 — CID 142536432

IUPAC2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)c4ccccc34)c3c(cccc3-c3cccc4ccccc34)-c3cccc(-c4cccc5ccccc45)c32)c2ccccc12
InChIInChI=1S/C57H42O4/c58-33-35-60-53-31-29-51(43-19-5-7-21-45(43)53)57(52-30-32-54(61-36-34-59)46-22-8-6-20-44(46)52)55-47(41-23-9-15-37-13-1-3-17-39(37)41)25-11-27-49(55)50-28-12-26-48(56(50)57)42-24-10-16-38-14-2-4-18-40(38)42/h1-32,58-59H,33-36H2
InChIKeyKFTNHWAEPDHEJG-UHFFFAOYSA-N
MW790.96 g/mol
LogP12.74
Rot. Bonds10

About 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol

2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol (PubChem CID 142536432) has the molecular formula C57H42O4 and a molecular weight of 790.96 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol
PubChem CID142536432
Molecular FormulaC57H42O4
Molecular Weight790.96 g/mol
Exact Mass790.31
IUPAC Name2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol
SMILESOCCOc1ccc(C2(c3ccc(OCCO)c4ccccc34)c3c(cccc3-c3cccc4ccccc34)-c3cccc(-c4cccc5ccccc45)c32)c2ccccc12
InChIInChI=1S/C57H42O4/c58-33-35-60-53-31-29-51(43-19-5-7-21-45(43)53)57(52-30-32-54(61-36-34-59)46-22-8-6-20-44(46)52)55-47(41-23-9-15-37-13-1-3-17-39(37)41)25-11-27-49(55)50-28-12-26-48(56(50)57)42-24-10-16-38-14-2-4-18-40(38)42/h1-32,58-59H,33-36H2
InChIKeyKFTNHWAEPDHEJG-UHFFFAOYSA-N
XLogP12.74
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.96
LogP ≤ 512.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-di(thiophen-3-yl)fluoren-9-yl]naphthalen-1-yl]oxyethanol
CID 154629934
3-[4-(3-hydroxypropoxy)-2,5-dinaphthalen-1-ylphenoxy]propan-1-ol
CID 169075773
2-[2-[9-[2-(2-hydroxyethoxy)-6-phenylphenyl]fluoren-9-yl]-3-phenylphenoxy]ethanol
CID 139891141
2-[4-[2-[4-(2-hydroxyethoxy)-3-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]-2-(3-naphthalen-1-ylphenyl)phenoxy]ethanol
CID 176584477
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-[4-[4-(2-hydroxyethoxy)-3,5-dinaphthalen-1-ylphenyl]sulfanyl-2,6-dinaphthalen-1-ylphenoxy]ethanol
CID 167506448
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol
CID 142536387
1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene
CID 22974646
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
2-[4-[9-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5-dinaphthalen-2-ylfluoren-9-yl]-2-methylphenoxy]ethanol
CID 142536393
2-[8-(2-hydroxyethoxy)naphthalen-1-yl]oxyethanol
CID 21424545
CID 175282704
CID 175282704

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol?
The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol (CID 142536432) is 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol.
What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol?
The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol is OCCOc1ccc(C2(c3ccc(OCCO)c4ccccc34)c3c(cccc3-c3cccc4ccccc34)-c3cccc(-c4cccc5ccccc45)c32)c2ccccc12.
What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol?
The InChIKey is KFTNHWAEPDHEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42O4/c58-33-35-60-53-31-29-51(43-19-5-7-21-45(43)53)57(52-30-32-54(61-36-34-59)46-22-8-6-20-44(46)52)55-47(41-23-9-15-37-13-1-3-17-39(37)41)25-11-27-49(55)50-28-12-26-48(56(50)57)42-24-10-16-38-14-2-4-18-40(38)42/h1-32,58-59H,33-36H2.
What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol?
2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol has a molecular weight of 790.96 g/mol, XLogP of 12.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol is sourced from PubChem (CID 142536432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).