9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate

C26H21NO2S2 — CID 169470883

IUPAC9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(-c2cccs2)s1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H21NO2S2/c28-26(27-15-5-7-18-13-14-25(31-18)24-12-6-16-30-24)29-17-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-14,16,23H,15,17H2,(H,27,28)
InChIKeyWOHUIXXSDGJNDM-UHFFFAOYSA-N
MW443.59 g/mol
LogP7.03
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate (PubChem CID 169470883) has the molecular formula C26H21NO2S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate
PubChem CID169470883
Molecular FormulaC26H21NO2S2
Molecular Weight443.59 g/mol
Exact Mass443.10
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(-c2cccs2)s1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H21NO2S2/c28-26(27-15-5-7-18-13-14-25(31-18)24-12-6-16-30-24)29-17-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-14,16,23H,15,17H2,(H,27,28)
InChIKeyWOHUIXXSDGJNDM-UHFFFAOYSA-N
XLogP7.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate
CID 169470886
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169469145
9H-fluoren-9-ylmethyl N-(3-imidazo[1,2-a]pyridin-3-ylprop-2-enyl)carbamate
CID 169469690
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-1,3-thiazole-2-carboxylic acid
CID 169469291
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-(3-pyridin-3-ylprop-2-enyl)carbamate
CID 169468939
9H-fluoren-9-ylmethyl N-[3-[4-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
CID 169469471

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate (CID 169470883) is 9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(-c2cccs2)s1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate?
The InChIKey is WOHUIXXSDGJNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2S2/c28-26(27-15-5-7-18-13-14-25(31-18)24-12-6-16-30-24)29-17-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-14,16,23H,15,17H2,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate has a molecular weight of 443.59 g/mol, XLogP of 7.03, 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-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).