9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate

C37H37NO4 — CID 126552590

IUPAC9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate
SMILESO=C(NC1c2ccccc2Oc2cc(OCC3CCCCCCC3)ccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H37NO4/c39-37(41-24-33-29-16-8-6-14-27(29)28-15-7-9-17-30(28)33)38-36-31-18-10-11-19-34(31)42-35-22-26(20-21-32(35)36)40-23-25-12-4-2-1-3-5-13-25/h6-11,14-22,25,33,36H,1-5,12-13,23-24H2,(H,38,39)
InChIKeyXCJZYKHJWHEDPO-UHFFFAOYSA-N
MW559.71 g/mol
LogP9.16
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate

9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate (PubChem CID 126552590) has the molecular formula C37H37NO4 and a molecular weight of 559.71 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate
PubChem CID126552590
Molecular FormulaC37H37NO4
Molecular Weight559.71 g/mol
Exact Mass559.27
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate
SMILESO=C(NC1c2ccccc2Oc2cc(OCC3CCCCCCC3)ccc21)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C37H37NO4/c39-37(41-24-33-29-16-8-6-14-27(29)28-15-7-9-17-30(28)33)38-36-31-18-10-11-19-34(31)42-35-22-26(20-21-32(35)36)40-23-25-12-4-2-1-3-5-13-25/h6-11,14-22,25,33,36H,1-5,12-13,23-24H2,(H,38,39)
InChIKeyXCJZYKHJWHEDPO-UHFFFAOYSA-N
XLogP9.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate
CID 143339626
N-[3-(cyclononylmethoxy)-9H-xanthen-9-yl]pyrrolidine-2-carboxamide
CID 123841065
9H-fluoren-9-ylmethyl N-[3-[(3,4,5-trioctadecoxyphenyl)methoxy]-9H-xanthen-9-yl]carbamate
CID 164735760
(1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate
CID 143587116
cyclohexylmethyl 9H-xanthene-9-carboxylate
CID 7716785
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
9H-fluoren-9-ylmethyl N-(cyclohexylcarbamothioyl)carbamate
CID 134917791
9H-fluoren-9-ylmethyl N-[2-(cycloheptylamino)-2-oxoethyl]carbamate
CID 170794400
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072
N-[6-(cyclodecylmethoxy)-3,9-dihydro-2H-xanthen-9-yl]-2-(propylamino)acetamide
CID 126552604
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate (CID 126552590) is 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate is O=C(NC1c2ccccc2Oc2cc(OCC3CCCCCCC3)ccc21)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate?
The InChIKey is XCJZYKHJWHEDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37NO4/c39-37(41-24-33-29-16-8-6-14-27(29)28-15-7-9-17-30(28)33)38-36-31-18-10-11-19-34(31)42-35-22-26(20-21-32(35)36)40-23-25-12-4-2-1-3-5-13-25/h6-11,14-22,25,33,36H,1-5,12-13,23-24H2,(H,38,39).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate has a molecular weight of 559.71 g/mol, XLogP of 9.16, 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-(cyclooctylmethoxy)-9H-xanthen-9-yl]carbamate is sourced from PubChem (CID 126552590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).