2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol

C49H38O2 — CID 162688543

IUPAC2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol
SMILESOCCC1(CCO)c2cc(-c3cccc(-c4ccc5ccccc5c4)c3)ccc2-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C49H38O2/c50-25-23-49(24-26-51)47-31-43(39-13-5-11-37(29-39)41-17-15-33-7-1-3-9-35(33)27-41)19-21-45(47)46-22-20-44(32-48(46)49)40-14-6-12-38(30-40)42-18-16-34-8-2-4-10-36(34)28-42/h1-22,27-32,50-51H,23-26H2
InChIKeyBYVYQBCQUOLMSE-UHFFFAOYSA-N
MW658.84 g/mol
LogP11.69
Rot. Bonds8

About 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol

2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol (PubChem CID 162688543) has the molecular formula C49H38O2 and a molecular weight of 658.84 g/mol. Its IUPAC name is 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol.

Molecular Properties

Compound Name2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol
PubChem CID162688543
Molecular FormulaC49H38O2
Molecular Weight658.84 g/mol
Exact Mass658.29
IUPAC Name2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol
SMILESOCCC1(CCO)c2cc(-c3cccc(-c4ccc5ccccc5c4)c3)ccc2-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc21
InChIInChI=1S/C49H38O2/c50-25-23-49(24-26-51)47-31-43(39-13-5-11-37(29-39)41-17-15-33-7-1-3-9-35(33)27-41)19-21-45(47)46-22-20-44(32-48(46)49)40-14-6-12-38(30-40)42-18-16-34-8-2-4-10-36(34)28-42/h1-22,27-32,50-51H,23-26H2
InChIKeyBYVYQBCQUOLMSE-UHFFFAOYSA-N
XLogP11.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 511.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[9-(hydroxymethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]methanol
CID 167328411
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
2-[9-[2-(2-methylprop-2-enoyloxy)ethyl]-2,7-dinaphthalen-2-ylfluoren-9-yl]ethyl 2-methylprop-2-enoate
CID 169209798
9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene
CID 166060136
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol?
The IUPAC name of 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol (CID 162688543) is 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol.
What is the SMILES notation for 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol?
The canonical SMILES for 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol is OCCC1(CCO)c2cc(-c3cccc(-c4ccc5ccccc5c4)c3)ccc2-c2ccc(-c3cccc(-c4ccc5ccccc5c4)c3)cc21.
What is the InChIKey of 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol?
The InChIKey is BYVYQBCQUOLMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38O2/c50-25-23-49(24-26-51)47-31-43(39-13-5-11-37(29-39)41-17-15-33-7-1-3-9-35(33)27-41)19-21-45(47)46-22-20-44(32-48(46)49)40-14-6-12-38(30-40)42-18-16-34-8-2-4-10-36(34)28-42/h1-22,27-32,50-51H,23-26H2.
What are the key properties of 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol?
2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol has a molecular weight of 658.84 g/mol, XLogP of 11.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2-hydroxyethyl)-2,7-bis(3-naphthalen-2-ylphenyl)fluoren-9-yl]ethanol is sourced from PubChem (CID 162688543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).