3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol

C37H40O2 — CID 118344061

IUPAC3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CC1(CC2(CC(C)(C)CO)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C37H40O2/c1-34(2,24-38)21-36(30-17-9-5-13-26(30)27-14-6-10-18-31(27)36)23-37(22-35(3,4)25-39)32-19-11-7-15-28(32)29-16-8-12-20-33(29)37/h5-20,38-39H,21-25H2,1-4H3
InChIKeyOMOXALXPRBGPET-UHFFFAOYSA-N
MW516.73 g/mol
LogP8.13
Rot. Bonds8

About 3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol

3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol (PubChem CID 118344061) has the molecular formula C37H40O2 and a molecular weight of 516.73 g/mol. Its IUPAC name is 3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol
PubChem CID118344061
Molecular FormulaC37H40O2
Molecular Weight516.73 g/mol
Exact Mass516.30
IUPAC Name3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CC1(CC2(CC(C)(C)CO)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C37H40O2/c1-34(2,24-38)21-36(30-17-9-5-13-26(30)27-14-6-10-18-31(27)36)23-37(22-35(3,4)25-39)32-19-11-7-15-28(32)29-16-8-12-20-33(29)37/h5-20,38-39H,21-25H2,1-4H3
InChIKeyOMOXALXPRBGPET-UHFFFAOYSA-N
XLogP8.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol (CID 118344061) is 3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol is CC(C)(CO)CC1(CC2(CC(C)(C)CO)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is OMOXALXPRBGPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40O2/c1-34(2,24-38)21-36(30-17-9-5-13-26(30)27-14-6-10-18-31(27)36)23-37(22-35(3,4)25-39)32-19-11-7-15-28(32)29-16-8-12-20-33(29)37/h5-20,38-39H,21-25H2,1-4H3.
What are the key properties of 3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol?
3-[9-[[9-(3-hydroxy-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 516.73 g/mol, XLogP of 8.13, 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-2,2-dimethylpropyl)fluoren-9-yl]methyl]fluoren-9-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 118344061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).