9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol

C56H44O2 — CID 161282219

IUPAC9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol
SMILESOC1(CCC2(O)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H22O2.C28H22/c29-27(23-13-5-1-9-19(23)20-10-2-6-14-24(20)27)17-18-28(30)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28;1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,29-30H,17-18H2;1-16,27-28H,17-18H2
InChIKeyVFFXLXYUZHSDAE-UHFFFAOYSA-N
MW748.97 g/mol
LogP12.99
Rot. Bonds6

About 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol

9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol (PubChem CID 161282219) has the molecular formula C56H44O2 and a molecular weight of 748.97 g/mol. Its IUPAC name is 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol.

Molecular Properties

Compound Name9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol
PubChem CID161282219
Molecular FormulaC56H44O2
Molecular Weight748.97 g/mol
Exact Mass748.33
IUPAC Name9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol
SMILESOC1(CCC2(O)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H22O2.C28H22/c29-27(23-13-5-1-9-19(23)20-10-2-6-14-24(20)27)17-18-28(30)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28;1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,29-30H,17-18H2;1-16,27-28H,17-18H2
InChIKeyVFFXLXYUZHSDAE-UHFFFAOYSA-N
XLogP12.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 512.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-(iodomethyl)fluoren-9-ol
CID 135158118
9-(methylaminomethyl)fluoren-9-ol
CID 132915706
11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene
CID 15494429
4-(9H-fluoren-9-yl)butan-1-ol
CID 10060129
2-methyl-9-[2-(2-methyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 15494405
9-but-2-ynylfluoren-9-ol
CID 155470796
ethane;4-(9H-fluoren-9-yl)butan-2-one
CID 143985685
9-nonyl-9H-fluorene
CID 22568532
carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol
CID 10959383
9-[2-(9H-fluoren-9-yl)ethyl]-2,7-dinaphthalen-1-yl-9H-fluorene
CID 15494424
9-[2-(3-prop-2-enyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 15899658
2-(9H-fluoren-9-yl)ethoxymethanethioic S-acid
CID 87914103

Frequently Asked Questions

What is the IUPAC name of 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol?
The IUPAC name of 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol (CID 161282219) is 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol.
What is the SMILES notation for 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol?
The canonical SMILES for 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol is OC1(CCC2(O)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.c1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol?
The InChIKey is VFFXLXYUZHSDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2.C28H22/c29-27(23-13-5-1-9-19(23)20-10-2-6-14-24(20)27)17-18-28(30)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28;1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)17-18-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16,29-30H,17-18H2;1-16,27-28H,17-18H2.
What are the key properties of 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol?
9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol has a molecular weight of 748.97 g/mol, XLogP of 12.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol is sourced from PubChem (CID 161282219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).