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

C23H18Br2N2O2 — CID 169470944

IUPAC9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c(Br)cncc1Br)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18Br2N2O2/c24-21-12-26-13-22(25)19(21)10-5-11-27-23(28)29-14-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-10,12-13,20H,11,14H2,(H,27,28)
InChIKeyDJPXDYCXGSZQMW-UHFFFAOYSA-N
MW514.22 g/mol
LogP6.16
Rot. Bonds5

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

9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169470944) has the molecular formula C23H18Br2N2O2 and a molecular weight of 514.22 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
PubChem CID169470944
Molecular FormulaC23H18Br2N2O2
Molecular Weight514.22 g/mol
Exact Mass511.97
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1c(Br)cncc1Br)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18Br2N2O2/c24-21-12-26-13-22(25)19(21)10-5-11-27-23(28)29-14-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-10,12-13,20H,11,14H2,(H,27,28)
InChIKeyDJPXDYCXGSZQMW-UHFFFAOYSA-N
XLogP6.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.22
LogP ≤ 56.16
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-(5-formyl-3-pyridinyl)prop-2-enyl]carbamate
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9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470634
9H-fluoren-9-ylmethyl N-(3-pyridin-3-ylprop-2-enyl)carbamate
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9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate
CID 169470886
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-pyridinyl)prop-2-enyl]carbamate
CID 169468973
9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169470824
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-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enyl]carbamate
CID 169468972
9H-fluoren-9-ylmethyl N-[3-(3-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469026
9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate
CID 169470820

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate (CID 169470944) is 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate is O=C(NCC=Cc1c(Br)cncc1Br)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is DJPXDYCXGSZQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Br2N2O2/c24-21-12-26-13-22(25)19(21)10-5-11-27-23(28)29-14-20-17-8-3-1-6-15(17)16-7-2-4-9-18(16)20/h1-10,12-13,20H,11,14H2,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 514.22 g/mol, XLogP of 6.16, 5 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-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).