2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol

C45H32O2 — CID 151348854

IUPAC2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol
SMILESOCCOc1ccc2cc(-c3ccc(-c4cccc5ccccc45)c4c3Cc3cccc(-c5cccc6ccccc56)c3-4)ccc2c1
InChIInChI=1S/C45H32O2/c46-24-25-47-35-21-20-31-26-33(19-18-32(31)27-35)38-22-23-42(40-16-6-11-30-9-2-4-14-37(30)40)45-43(38)28-34-12-7-17-41(44(34)45)39-15-5-10-29-8-1-3-13-36(29)39/h1-23,26-27,46H,24-25,28H2
InChIKeyOMBFRKGXQJUHKF-UHFFFAOYSA-N
MW604.75 g/mol
LogP11.09
Rot. Bonds6

About 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol

2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol (PubChem CID 151348854) has the molecular formula C45H32O2 and a molecular weight of 604.75 g/mol. Its IUPAC name is 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol
PubChem CID151348854
Molecular FormulaC45H32O2
Molecular Weight604.75 g/mol
Exact Mass604.24
IUPAC Name2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol
SMILESOCCOc1ccc2cc(-c3ccc(-c4cccc5ccccc45)c4c3Cc3cccc(-c5cccc6ccccc56)c3-4)ccc2c1
InChIInChI=1S/C45H32O2/c46-24-25-47-35-21-20-31-26-33(19-18-32(31)27-35)38-22-23-42(40-16-6-11-30-9-2-4-14-37(30)40)45-43(38)28-34-12-7-17-41(44(34)45)39-15-5-10-29-8-1-3-13-36(29)39/h1-23,26-27,46H,24-25,28H2
InChIKeyOMBFRKGXQJUHKF-UHFFFAOYSA-N
XLogP11.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 511.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(1,8-diphenyl-9H-fluoren-2-yl)naphthalen-2-yl]oxyethanol
CID 152601407
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol
CID 142536387
2-[3-(2-hydroxyethoxy)-1-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)naphthalen-2-yl]oxyethanol
CID 175729954
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
2-(9H-fluoren-1-yl)anthracene
CID 151119003
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
2-naphthalen-1-ylanthracene
CID 2748705
2-[4-(9H-fluoren-1-yl)-2,6-diphenylphenoxy]ethanol
CID 67660456
2-[2-(9H-fluoren-4-yl)-6-methylphenoxy]ethanol
CID 151946123
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
2-[4-(9H-fluoren-1-yl)-2-methylphenoxy]ethanol
CID 66730243

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol (CID 151348854) is 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol is OCCOc1ccc2cc(-c3ccc(-c4cccc5ccccc45)c4c3Cc3cccc(-c5cccc6ccccc56)c3-4)ccc2c1.
What is the InChIKey of 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol?
The InChIKey is OMBFRKGXQJUHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32O2/c46-24-25-47-35-21-20-31-26-33(19-18-32(31)27-35)38-22-23-42(40-16-6-11-30-9-2-4-14-37(30)40)45-43(38)28-34-12-7-17-41(44(34)45)39-15-5-10-29-8-1-3-13-36(29)39/h1-23,26-27,46H,24-25,28H2.
What are the key properties of 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol?
2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol has a molecular weight of 604.75 g/mol, XLogP of 11.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,5-dinaphthalen-1-yl-9H-fluoren-1-yl)naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 151348854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).