9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate

C33H27NO4 — CID 143339626

IUPAC9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate
SMILESO=C(NC1c2ccccc2Oc2cc(OCC3=CCC3)ccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H27NO4/c35-33(37-20-29-25-12-3-1-10-23(25)24-11-2-4-13-26(24)29)34-32-27-14-5-6-15-30(27)38-31-18-22(16-17-28(31)32)36-19-21-8-7-9-21/h1-6,8,10-18,29,32H,7,9,19-20H2,(H,34,35)
InChIKeyPCWKPMJUUMHGQP-UHFFFAOYSA-N
MW501.58 g/mol
LogP7.52
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate

9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate (PubChem CID 143339626) has the molecular formula C33H27NO4 and a molecular weight of 501.58 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate
PubChem CID143339626
Molecular FormulaC33H27NO4
Molecular Weight501.58 g/mol
Exact Mass501.19
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate
SMILESO=C(NC1c2ccccc2Oc2cc(OCC3=CCC3)ccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C33H27NO4/c35-33(37-20-29-25-12-3-1-10-23(25)24-11-2-4-13-26(24)29)34-32-27-14-5-6-15-30(27)38-31-18-22(16-17-28(31)32)36-19-21-8-7-9-21/h1-6,8,10-18,29,32H,7,9,19-20H2,(H,34,35)
InChIKeyPCWKPMJUUMHGQP-UHFFFAOYSA-N
XLogP7.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
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9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
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9H-fluoren-9-ylmethyl N-[(3R)-2,5-dioxooxolan-3-yl]carbamate
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methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate (CID 143339626) is 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate is O=C(NC1c2ccccc2Oc2cc(OCC3=CCC3)ccc21)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate?
The InChIKey is PCWKPMJUUMHGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO4/c35-33(37-20-29-25-12-3-1-10-23(25)24-11-2-4-13-26(24)29)34-32-27-14-5-6-15-30(27)38-31-18-22(16-17-28(31)32)36-19-21-8-7-9-21/h1-6,8,10-18,29,32H,7,9,19-20H2,(H,34,35).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate has a molecular weight of 501.58 g/mol, XLogP of 7.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate is sourced from PubChem (CID 143339626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).