2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol

C46H36O2 — CID 175370699

IUPAC2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol
SMILESOCCOc1cc(-c2ccccc2)c2ccccc2c1-c1ccc(-c2ccccc2)c2c1C=CC(c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C46H36O2/c47-29-30-48-44-31-42(34-17-7-2-8-18-34)38-23-13-14-24-40(38)45(44)41-26-25-37(33-15-5-1-6-16-33)43-32-46(28-27-39(41)43,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-28,31,47H,29-30,32H2
InChIKeyHKQKYBLDDABZEB-UHFFFAOYSA-N
MW620.79 g/mol
LogP10.77
Rot. Bonds8

About 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol

2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol (PubChem CID 175370699) has the molecular formula C46H36O2 and a molecular weight of 620.79 g/mol. Its IUPAC name is 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol
PubChem CID175370699
Molecular FormulaC46H36O2
Molecular Weight620.79 g/mol
Exact Mass620.27
IUPAC Name2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol
SMILESOCCOc1cc(-c2ccccc2)c2ccccc2c1-c1ccc(-c2ccccc2)c2c1C=CC(c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C46H36O2/c47-29-30-48-44-31-42(34-17-7-2-8-18-34)38-23-13-14-24-40(38)45(44)41-26-25-37(33-15-5-1-6-16-33)43-32-46(28-27-39(41)43,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-28,31,47H,29-30,32H2
InChIKeyHKQKYBLDDABZEB-UHFFFAOYSA-N
XLogP10.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.79
LogP ≤ 510.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5,5-diphenyl-6H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol
CID 175154022
2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol
CID 175157433
2-[2-[2-(2-hydroxyethoxy)-5-phenylphenyl]sulfanyl-4-phenylphenoxy]ethanol
CID 86027705
[6,6-bis(4-methoxyphenyl)-10-methyl-5H-phenanthren-9-yl]methanol
CID 143943828
21-[10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracen-9-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 166019929
9-phenyl-10-(4-phenyl-5,6-dihydronaphthalen-1-yl)anthracene
CID 164717350
2-[4-(9H-fluoren-1-yl)-2,6-diphenylphenoxy]ethanol
CID 67660456
6,7-dichloro-5-(2-hydroxyethoxy)-2-methyl-2-phenyl-3H-inden-1-one
CID 12773780
2-[4-[9-[4-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]fluoren-9-yl]phenyl]phenyl]fluoren-9-yl]-2-phenylphenoxy]ethanol
CID 155660366
2-[4-[9-[4-(2-hydroxyethoxy)-3-phenylphenyl]-3,6-diphenylfluoren-9-yl]-2-phenylphenoxy]ethanol
CID 142536418
2-[1-[2-(2-hydroxyethoxy)-6-naphthalen-2-ylnaphthalen-1-yl]-6-naphthalen-2-ylnaphthalen-2-yl]oxyethanol;2-[1-[2-(2-hydroxyethoxy)-6-phenylnaphthalen-1-yl]-6-phenylnaphthalen-2-yl]oxyethanol
CID 163740877
2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
CID 175729954

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol (CID 175370699) is 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol is OCCOc1cc(-c2ccccc2)c2ccccc2c1-c1ccc(-c2ccccc2)c2c1C=CC(c1ccccc1)(c1ccccc1)C2.
What is the InChIKey of 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The InChIKey is HKQKYBLDDABZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36O2/c47-29-30-48-44-31-42(34-17-7-2-8-18-34)38-23-13-14-24-40(38)45(44)41-26-25-37(33-15-5-1-6-16-33)43-32-46(28-27-39(41)43,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h1-28,31,47H,29-30,32H2.
What are the key properties of 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol?
2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol has a molecular weight of 620.79 g/mol, XLogP of 10.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-1-(4,6,6-triphenyl-5H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 175370699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).