ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine

C55H84N2 — CID 167662682

IUPACethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine
SMILESCC.CC.CC.CC.CC.CC.CCN(CC)Cc1cccc2c1-c1c(C)cccc1C2.CCN(CC)Cc1cccc2c1-c1c(cccc1-c1ccccc1)C2
InChIInChI=1S/C24H25N.C19H23N.6C2H6/c1-3-25(4-2)17-21-14-8-12-19-16-20-13-9-15-22(24(20)23(19)21)18-10-6-5-7-11-18;1-4-20(5-2)13-17-11-7-10-16-12-15-9-6-8-14(3)18(15)19(16)17;6*1-2/h5-15H,3-4,16-17H2,1-2H3;6-11H,4-5,12-13H2,1-3H3;6*1-2H3
InChIKeySEDSQVHSDSJGJE-UHFFFAOYSA-N
MW773.29 g/mol
LogP16.33
Rot. Bonds9

About ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine

ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine (PubChem CID 167662682) has the molecular formula C55H84N2 and a molecular weight of 773.29 g/mol. Its IUPAC name is ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine
PubChem CID167662682
Molecular FormulaC55H84N2
Molecular Weight773.29 g/mol
Exact Mass772.66
IUPAC Nameethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine
SMILESCC.CC.CC.CC.CC.CC.CCN(CC)Cc1cccc2c1-c1c(C)cccc1C2.CCN(CC)Cc1cccc2c1-c1c(cccc1-c1ccccc1)C2
InChIInChI=1S/C24H25N.C19H23N.6C2H6/c1-3-25(4-2)17-21-14-8-12-19-16-20-13-9-15-22(24(20)23(19)21)18-10-6-5-7-11-18;1-4-20(5-2)13-17-11-7-10-16-12-15-9-6-8-14(3)18(15)19(16)17;6*1-2/h5-15H,3-4,16-17H2,1-2H3;6-11H,4-5,12-13H2,1-3H3;6*1-2H3
InChIKeySEDSQVHSDSJGJE-UHFFFAOYSA-N
XLogP16.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.29
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine
CID 167662684
4,5-dimethyl-9H-fluorene
CID 14389533
1-ethyl-3-methyl-2-(2-phenylphenyl)benzene
CID 175280836
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
benzene;formamide;4-octyl-9H-fluorene
CID 175052278
1-butyl-5-methyl-9H-fluorene
CID 173246680
ethanamine;9H-fluorene
CID 158316259
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
2-[2-(9H-fluoren-4-yl)-6-methylphenoxy]ethanol
CID 151946123
1-(2-ethyl-9H-fluoren-1-yl)-4,5-dimethyl-9H-fluorene
CID 22912623

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine?
The IUPAC name of ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine (CID 167662682) is ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine.
What is the SMILES notation for ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine?
The canonical SMILES for ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine is CC.CC.CC.CC.CC.CC.CCN(CC)Cc1cccc2c1-c1c(C)cccc1C2.CCN(CC)Cc1cccc2c1-c1c(cccc1-c1ccccc1)C2.
What is the InChIKey of ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine?
The InChIKey is SEDSQVHSDSJGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N.C19H23N.6C2H6/c1-3-25(4-2)17-21-14-8-12-19-16-20-13-9-15-22(24(20)23(19)21)18-10-6-5-7-11-18;1-4-20(5-2)13-17-11-7-10-16-12-15-9-6-8-14(3)18(15)19(16)17;6*1-2/h5-15H,3-4,16-17H2,1-2H3;6-11H,4-5,12-13H2,1-3H3;6*1-2H3.
What are the key properties of ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine?
ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine has a molecular weight of 773.29 g/mol, XLogP of 16.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-[(5-methyl-9H-fluoren-4-yl)methyl]ethanamine;N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine is sourced from PubChem (CID 167662682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).