1,1-bis(9H-fluoren-1-yl)ethyl carbamate

C29H23NO2 — CID 151505188

IUPAC1,1-bis(9H-fluoren-1-yl)ethyl carbamate
SMILESCC(OC(N)=O)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H23NO2/c1-29(32-28(30)31,26-14-6-12-22-20-10-4-2-8-18(20)16-24(22)26)27-15-7-13-23-21-11-5-3-9-19(21)17-25(23)27/h2-15H,16-17H2,1H3,(H2,30,31)
InChIKeyPRGQYBWTOOWNRK-UHFFFAOYSA-N
MW417.51 g/mol
LogP6.19
Rot. Bonds3

About 1,1-bis(9H-fluoren-1-yl)ethyl carbamate

1,1-bis(9H-fluoren-1-yl)ethyl carbamate (PubChem CID 151505188) has the molecular formula C29H23NO2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1,1-bis(9H-fluoren-1-yl)ethyl carbamate.

Molecular Properties

Compound Name1,1-bis(9H-fluoren-1-yl)ethyl carbamate
PubChem CID151505188
Molecular FormulaC29H23NO2
Molecular Weight417.51 g/mol
Exact Mass417.17
IUPAC Name1,1-bis(9H-fluoren-1-yl)ethyl carbamate
SMILESCC(OC(N)=O)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C29H23NO2/c1-29(32-28(30)31,26-14-6-12-22-20-10-4-2-8-18(20)16-24(22)26)27-15-7-13-23-21-11-5-3-9-19(21)17-25(23)27/h2-15H,16-17H2,1H3,(H2,30,31)
InChIKeyPRGQYBWTOOWNRK-UHFFFAOYSA-N
XLogP6.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(9H-fluoren-1-yl)but-3-yn-2-yl]-9H-fluorene
CID 151464335
2-(9H-fluoren-1-yl)acetamide
CID 22939017
9H-fluorene-1-carboxamide
CID 18474131
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[9H-fluoren-1-yl(diphenyl)methyl]-9H-fluorene
CID 141254702
1,1-diphenylethyl carbamate
CID 20976713
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
dicyclohexyl 2-(9H-fluoren-1-yl)-2-(2-methylpropyl)propanedioate
CID 141391934
carbamoyl (E)-3-(9H-fluoren-1-yl)-2-methylprop-2-eneperoxoate
CID 140552483
1-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 139709795
N-[1,2-dichloro-1-(9H-fluoren-1-yl)ethyl]-2-methylpropan-2-amine
CID 87185294
bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101363551

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(9H-fluoren-1-yl)ethyl carbamate?
The IUPAC name of 1,1-bis(9H-fluoren-1-yl)ethyl carbamate (CID 151505188) is 1,1-bis(9H-fluoren-1-yl)ethyl carbamate.
What is the SMILES notation for 1,1-bis(9H-fluoren-1-yl)ethyl carbamate?
The canonical SMILES for 1,1-bis(9H-fluoren-1-yl)ethyl carbamate is CC(OC(N)=O)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,1-bis(9H-fluoren-1-yl)ethyl carbamate?
The InChIKey is PRGQYBWTOOWNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO2/c1-29(32-28(30)31,26-14-6-12-22-20-10-4-2-8-18(20)16-24(22)26)27-15-7-13-23-21-11-5-3-9-19(21)17-25(23)27/h2-15H,16-17H2,1H3,(H2,30,31).
What are the key properties of 1,1-bis(9H-fluoren-1-yl)ethyl carbamate?
1,1-bis(9H-fluoren-1-yl)ethyl carbamate has a molecular weight of 417.51 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(9H-fluoren-1-yl)ethyl carbamate is sourced from PubChem (CID 151505188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).