9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate

C28H23NO3 — CID 169470273

IUPAC9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc2cc(O)ccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H23NO3/c30-22-14-13-20-16-19(11-12-21(20)17-22)6-5-15-29-28(31)32-18-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27/h1-14,16-17,27,30H,15,18H2,(H,29,31)
InChIKeyFLENYPQJLQTHEC-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.10
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate (PubChem CID 169470273) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
PubChem CID169470273
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc2cc(O)ccc2c1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H23NO3/c30-22-14-13-20-16-19(11-12-21(20)17-22)6-5-15-29-28(31)32-18-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27/h1-14,16-17,27,30H,15,18H2,(H,29,31)
InChIKeyFLENYPQJLQTHEC-UHFFFAOYSA-N
XLogP6.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-(3-isoquinolin-6-ylprop-2-enyl)carbamate
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9H-fluoren-9-ylmethyl N-[3-(2-chloroquinolin-6-yl)prop-2-enyl]carbamate
CID 169470295
9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469390
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
CID 169469851
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169469145
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydrazinylphenyl)prop-2-enyl]carbamate
CID 169469493
9H-fluoren-9-ylmethyl N-[3-(4-acetyl-3-chlorophenyl)prop-2-enyl]carbamate
CID 169469856
9H-fluoren-9-ylmethyl N-[3-(3-hydroxy-4-nitrophenyl)prop-2-enyl]carbamate
CID 169470028
9H-fluoren-9-ylmethyl N-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate (CID 169470273) is 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc2cc(O)ccc2c1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate?
The InChIKey is FLENYPQJLQTHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO3/c30-22-14-13-20-16-19(11-12-21(20)17-22)6-5-15-29-28(31)32-18-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27/h1-14,16-17,27,30H,15,18H2,(H,29,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 6.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).