9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate

C28H21NO4 — CID 18314372

IUPAC9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate
SMILESO=C(NC1c2ccccc2Oc2cc(O)ccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H21NO4/c30-17-13-14-23-26(15-17)33-25-12-6-5-11-22(25)27(23)29-28(31)32-16-24-20-9-3-1-7-18(20)19-8-2-4-10-21(19)24/h1-15,24,27,30H,16H2,(H,29,31)
InChIKeyABGQOXIZMUEHIU-UHFFFAOYSA-N
MW435.48 g/mol
LogP6.13
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate

9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate (PubChem CID 18314372) has the molecular formula C28H21NO4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate
PubChem CID18314372
Molecular FormulaC28H21NO4
Molecular Weight435.48 g/mol
Exact Mass435.15
IUPAC Name9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate
SMILESO=C(NC1c2ccccc2Oc2cc(O)ccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H21NO4/c30-17-13-14-23-26(15-17)33-25-12-6-5-11-22(25)27(23)29-28(31)32-16-24-20-9-3-1-7-18(20)19-8-2-4-10-21(19)24/h1-15,24,27,30H,16H2,(H,29,31)
InChIKeyABGQOXIZMUEHIU-UHFFFAOYSA-N
XLogP6.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate (CID 18314372) is 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate is O=C(NC1c2ccccc2Oc2cc(O)ccc21)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate?
The InChIKey is ABGQOXIZMUEHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO4/c30-17-13-14-23-26(15-17)33-25-12-6-5-11-22(25)27(23)29-28(31)32-16-24-20-9-3-1-7-18(20)19-8-2-4-10-21(19)24/h1-15,24,27,30H,16H2,(H,29,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate?
9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate has a molecular weight of 435.48 g/mol, XLogP of 6.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(3-hydroxy-9H-xanthen-9-yl)carbamate is sourced from PubChem (CID 18314372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).