9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate

C27H27NO2 — CID 169469367

IUPAC9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
SMILESCc1cc(C)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C27H27NO2/c1-18-15-20(3)21(16-19(18)2)9-8-14-28-27(29)30-17-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h4-13,15-16,26H,14,17H2,1-3H3,(H,28,29)
InChIKeyOPQURHYOXMAEJB-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.16
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate (PubChem CID 169469367) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
PubChem CID169469367
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
SMILESCc1cc(C)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C27H27NO2/c1-18-15-20(3)21(16-19(18)2)9-8-14-28-27(29)30-17-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h4-13,15-16,26H,14,17H2,1-3H3,(H,28,29)
InChIKeyOPQURHYOXMAEJB-UHFFFAOYSA-N
XLogP6.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]carbamate
CID 169469374
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(3-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469026
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-fluoro-2-methylphenyl)prop-2-enyl]carbamate
CID 169469567
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
CID 169469598
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469496

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate (CID 169469367) is 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate is Cc1cc(C)c(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate?
The InChIKey is OPQURHYOXMAEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c1-18-15-20(3)21(16-19(18)2)9-8-14-28-27(29)30-17-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h4-13,15-16,26H,14,17H2,1-3H3,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate has a molecular weight of 397.52 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).