ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol

C33H34O2 — CID 144608460

IUPACethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
SMILESCC.OCC1(CCCC2(CO)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H28O2.C2H6/c32-20-30(26-14-5-1-10-22(26)23-11-2-6-15-27(23)30)18-9-19-31(21-33)28-16-7-3-12-24(28)25-13-4-8-17-29(25)31;1-2/h1-8,10-17,32-33H,9,18-21H2;1-2H3
InChIKeyPQGHFPIZDGQKND-UHFFFAOYSA-N
MW462.63 g/mol
LogP7.10
Rot. Bonds6

About ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol

ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol (PubChem CID 144608460) has the molecular formula C33H34O2 and a molecular weight of 462.63 g/mol. Its IUPAC name is ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol.

Molecular Properties

Compound Nameethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
PubChem CID144608460
Molecular FormulaC33H34O2
Molecular Weight462.63 g/mol
Exact Mass462.26
IUPAC Nameethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
SMILESCC.OCC1(CCCC2(CO)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H28O2.C2H6/c32-20-30(26-14-5-1-10-22(26)23-11-2-6-15-27(23)30)18-9-19-31(21-33)28-16-7-3-12-24(28)25-13-4-8-17-29(25)31;1-2/h1-8,10-17,32-33H,9,18-21H2;1-2H3
InChIKeyPQGHFPIZDGQKND-UHFFFAOYSA-N
XLogP7.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.63
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 118321624
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine
CID 90136424
(9-hexylxanthen-9-yl)methanol
CID 59778269
3-[2-[2-[[9-(3-hydroxypropyl)fluoren-9-yl]methyl]phenyl]phenyl]propan-1-ol
CID 118345007
9-ethyl-9-propylfluorene
CID 123584741
3-[9-(3-amino-3-oxopropyl)fluoren-9-yl]propanamide
CID 156840120
3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol
CID 90394313
CID 162235627
CID 162235627
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
methyl 3-(9-octylfluoren-9-yl)propanoate
CID 58637208

Frequently Asked Questions

What is the IUPAC name of ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol?
The IUPAC name of ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol (CID 144608460) is ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol.
What is the SMILES notation for ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol?
The canonical SMILES for ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol is CC.OCC1(CCCC2(CO)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol?
The InChIKey is PQGHFPIZDGQKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O2.C2H6/c32-20-30(26-14-5-1-10-22(26)23-11-2-6-15-27(23)30)18-9-19-31(21-33)28-16-7-3-12-24(28)25-13-4-8-17-29(25)31;1-2/h1-8,10-17,32-33H,9,18-21H2;1-2H3.
What are the key properties of ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol?
ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol has a molecular weight of 462.63 g/mol, XLogP of 7.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol is sourced from PubChem (CID 144608460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).