dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate

C26H25NO4 — CID 71346461

IUPACdimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate
SMILESCOC(=O)CCC(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C26H25NO4/c1-30-24(28)17-16-23(25(29)31-2)27-26(18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)26/h3-15,23,27H,16-17H2,1-2H3
InChIKeyPWPIMZNYWCZFCD-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.04
Rot. Bonds7

About dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate

dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate (PubChem CID 71346461) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate.

Molecular Properties

Compound Namedimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate
PubChem CID71346461
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Namedimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate
SMILESCOC(=O)CCC(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C26H25NO4/c1-30-24(28)17-16-23(25(29)31-2)27-26(18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)26/h3-15,23,27H,16-17H2,1-2H3
InChIKeyPWPIMZNYWCZFCD-UHFFFAOYSA-N
XLogP4.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate
CID 10982867
methyl (2S)-3-phenyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10669760
1-O-benzyl 4-O-methyl 2-[(9-phenylfluoren-9-yl)amino]butanedioate
CID 66648507
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261
methyl (2S)-3-cyclohexyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10788530
1-O-ethyl 5-O-methyl (4R)-4-[(9-phenylfluoren-9-yl)amino]-2-propanoylpentanedioate
CID 101072579
tert-butyl (2S)-6-dimethoxyphosphoryl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]hexanoate
CID 10554666
dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate
CID 10960718
methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]-3-phenylmethoxypropanoyl]amino]propanoate
CID 10627351
(3S)-4-oxo-3-[(9-phenylfluoren-9-yl)amino]-4-prop-2-enoxybutanoic acid
CID 101350894
dimethyl (Z,4S)-4-[(9-phenylfluoren-9-yl)amino]hex-2-enedioate
CID 11048212
2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 22116668

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate?
The IUPAC name of dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate (CID 71346461) is dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate.
What is the SMILES notation for dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate?
The canonical SMILES for dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate is COC(=O)CCC(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)OC.
What is the InChIKey of dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate?
The InChIKey is PWPIMZNYWCZFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-30-24(28)17-16-23(25(29)31-2)27-26(18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)26/h3-15,23,27H,16-17H2,1-2H3.
What are the key properties of dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate?
dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate has a molecular weight of 415.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate is sourced from PubChem (CID 71346461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).