[(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol

C41H32O4 — CID 12064797

IUPAC[(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1OC2(O[C@H]1C(O)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc12
InChIInChI=1S/C41H32O4/c42-39(29-17-5-1-6-18-29,30-19-7-2-8-20-30)37-38(40(43,31-21-9-3-10-22-31)32-23-11-4-12-24-32)45-41(44-37)35-27-15-13-25-33(35)34-26-14-16-28-36(34)41/h1-28,37-38,42-43H/t37-,38-/m1/s1
InChIKeyWWQOWHHJLANXKL-XPSQVAKYSA-N
MW588.70 g/mol
LogP7.52
Rot. Bonds6

About [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol

[(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol (PubChem CID 12064797) has the molecular formula C41H32O4 and a molecular weight of 588.70 g/mol. Its IUPAC name is [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol
PubChem CID12064797
Molecular FormulaC41H32O4
Molecular Weight588.70 g/mol
Exact Mass588.23
IUPAC Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)[C@@H]1OC2(O[C@H]1C(O)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc12
InChIInChI=1S/C41H32O4/c42-39(29-17-5-1-6-18-29,30-19-7-2-8-20-30)37-38(40(43,31-21-9-3-10-22-31)32-23-11-4-12-24-32)45-41(44-37)35-27-15-13-25-33(35)34-26-14-16-28-36(34)41/h1-28,37-38,42-43H/t37-,38-/m1/s1
InChIKeyWWQOWHHJLANXKL-XPSQVAKYSA-N
XLogP7.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.70
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol?
The IUPAC name of [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol (CID 12064797) is [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol.
What is the SMILES notation for [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol?
The canonical SMILES for [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)[C@@H]1OC2(O[C@H]1C(O)(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc12.
What is the InChIKey of [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol?
The InChIKey is WWQOWHHJLANXKL-XPSQVAKYSA-N. The full InChI is InChI=1S/C41H32O4/c42-39(29-17-5-1-6-18-29,30-19-7-2-8-20-30)37-38(40(43,31-21-9-3-10-22-31)32-23-11-4-12-24-32)45-41(44-37)35-27-15-13-25-33(35)34-26-14-16-28-36(34)41/h1-28,37-38,42-43H/t37-,38-/m1/s1.
What are the key properties of [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol?
[(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol has a molecular weight of 588.70 g/mol, XLogP of 7.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-[hydroxy(diphenyl)methyl]spiro[1,3-dioxolane-2,9'-fluorene]-4-yl]-diphenylmethanol is sourced from PubChem (CID 12064797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).