3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol

C35H36O2 — CID 118344073

IUPAC3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol
SMILESCC(CO)CC1(CC2(CC(C)CO)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C35H36O2/c1-24(21-36)19-34(30-15-7-3-11-26(30)27-12-4-8-16-31(27)34)23-35(20-25(2)22-37)32-17-9-5-13-28(32)29-14-6-10-18-33(29)35/h3-18,24-25,36-37H,19-23H2,1-2H3
InChIKeyBKYFREMAFBIKHQ-UHFFFAOYSA-N
MW488.67 g/mol
LogP7.35
Rot. Bonds8

About 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol

3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol (PubChem CID 118344073) has the molecular formula C35H36O2 and a molecular weight of 488.67 g/mol. Its IUPAC name is 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol
PubChem CID118344073
Molecular FormulaC35H36O2
Molecular Weight488.67 g/mol
Exact Mass488.27
IUPAC Name3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol
SMILESCC(CO)CC1(CC2(CC(C)CO)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C35H36O2/c1-24(21-36)19-34(30-15-7-3-11-26(30)27-12-4-8-16-31(27)34)23-35(20-25(2)22-37)32-17-9-5-13-28(32)29-14-6-10-18-33(29)35/h3-18,24-25,36-37H,19-23H2,1-2H3
InChIKeyBKYFREMAFBIKHQ-UHFFFAOYSA-N
XLogP7.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.67
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol
CID 118344061
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-[9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028071
ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 144608460
9,9-bis[(5S)-5-methylheptyl]fluorene
CID 101194552
[9-(2-methylpropanoyloxymethyl)fluoren-9-yl]methyl 2-methylpropanoate
CID 126613610
[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 118321624
methyl 3-[9-[2-[9-(3-methoxy-2-methyl-3-oxopropyl)fluoren-9-yl]ethyl]fluoren-9-yl]-2-methylpropanoate
CID 90136290
2-[9,9-bis(2-methylbutyl)fluoren-2-yl]-7-[7-[7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028072
propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate
CID 141442965
1-bromo-9,9-bis(3-methylbutyl)fluorene
CID 69230197
2-[9,9-bis(2-methylbutyl)-7-[9-(2-methylbutyl)-9-(2-methylpropyl)fluoren-2-yl]fluoren-2-yl]-7-[7-methyl-9,9-bis(2-methylbutyl)fluoren-2-yl]-9,9-bis(2-methylbutyl)fluorene
CID 21028080
9-ethyl-9-propylfluorene
CID 123584741

Frequently Asked Questions

What is the IUPAC name of 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol?
The IUPAC name of 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol (CID 118344073) is 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol is CC(CO)CC1(CC2(CC(C)CO)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol?
The InChIKey is BKYFREMAFBIKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36O2/c1-24(21-36)19-34(30-15-7-3-11-26(30)27-12-4-8-16-31(27)34)23-35(20-25(2)22-37)32-17-9-5-13-28(32)29-14-6-10-18-33(29)35/h3-18,24-25,36-37H,19-23H2,1-2H3.
What are the key properties of 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol?
3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol has a molecular weight of 488.67 g/mol, XLogP of 7.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[[9-(3-hydroxy-2-methylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 118344073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).