9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate

C30H27NO3 — CID 169470705

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
SMILESCCOc1ccc2ccccc2c1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27NO3/c1-2-33-29-18-17-21-10-3-4-11-22(21)27(29)16-9-19-31-30(32)34-20-28-25-14-7-5-12-23(25)24-13-6-8-15-26(24)28/h3-18,28H,2,19-20H2,1H3,(H,31,32)
InChIKeyCCRHKQLUGBDIKW-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.79
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate (PubChem CID 169470705) has the molecular formula C30H27NO3 and a molecular weight of 449.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
PubChem CID169470705
Molecular FormulaC30H27NO3
Molecular Weight449.55 g/mol
Exact Mass449.20
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate
SMILESCCOc1ccc2ccccc2c1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27NO3/c1-2-33-29-18-17-21-10-3-4-11-22(21)27(29)16-9-19-31-30(32)34-20-28-25-14-7-5-12-23(25)24-13-6-8-15-26(24)28/h3-18,28H,2,19-20H2,1H3,(H,31,32)
InChIKeyCCRHKQLUGBDIKW-UHFFFAOYSA-N
XLogP6.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(6-ethoxy-3-pyridinyl)prop-2-enyl]carbamate
CID 169469649
9H-fluoren-9-ylmethyl N-[3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enyl]carbamate
CID 169470557
9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate
CID 169468972
9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169470816
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(2,4-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469283
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2-chloro-6-fluorophenyl)prop-2-enyl]carbamate
CID 169469095
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
CID 169470273

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate (CID 169470705) is 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate is CCOc1ccc2ccccc2c1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate?
The InChIKey is CCRHKQLUGBDIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO3/c1-2-33-29-18-17-21-10-3-4-11-22(21)27(29)16-9-19-31-30(32)34-20-28-25-14-7-5-12-23(25)24-13-6-8-15-26(24)28/h3-18,28H,2,19-20H2,1H3,(H,31,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate has a molecular weight of 449.55 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-ethoxynaphthalen-1-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).