6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

C42H44N2O7 — CID 21043295

IUPAC6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESO=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)OC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C42H44N2O7/c45-39(23-3-1-13-25-43-41(47)49-27-37-33-19-9-5-15-29(33)30-16-6-10-20-34(30)37)51-40(46)24-4-2-14-26-44-42(48)50-28-38-35-21-11-7-17-31(35)32-18-8-12-22-36(32)38/h5-12,15-22,37-38H,1-4,13-14,23-28H2,(H,43,47)(H,44,48)
InChIKeyWNQWZEBLMKCBBW-UHFFFAOYSA-N
MW688.82 g/mol
LogP8.25
Rot. Bonds16

About 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (PubChem CID 21043295) has the molecular formula C42H44N2O7 and a molecular weight of 688.82 g/mol. Its IUPAC name is 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.

Molecular Properties

Compound Name6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
PubChem CID21043295
Molecular FormulaC42H44N2O7
Molecular Weight688.82 g/mol
Exact Mass688.31
IUPAC Name6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESO=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)OC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C42H44N2O7/c45-39(23-3-1-13-25-43-41(47)49-27-37-33-19-9-5-15-29(33)30-16-6-10-20-34(30)37)51-40(46)24-4-2-14-26-44-42(48)50-28-38-35-21-11-7-17-31(35)32-18-8-12-22-36(32)38/h5-12,15-22,37-38H,1-4,13-14,23-28H2,(H,43,47)(H,44,48)
InChIKeyWNQWZEBLMKCBBW-UHFFFAOYSA-N
XLogP8.25
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.82
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate with MolForge

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Related Compounds

ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
4-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexoxy]-4-oxobutanoic acid
CID 70264065
ethyl 2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]acetate
CID 141178701
O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate
CID 57330497
(3R)-3-[7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]butanoic acid
CID 165498296
9H-fluoren-9-ylmethyl N-[6-[[(2S,3S)-1,3-dihydroxybutan-2-yl]amino]-6-oxohexyl]carbamate
CID 21053930
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
9H-fluoren-9-ylmethyl N-[5-[(2-methylpropan-2-yl)oxy]pentyl]carbamate
CID 176788717

Frequently Asked Questions

What is the IUPAC name of 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The IUPAC name of 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (CID 21043295) is 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.
What is the SMILES notation for 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The canonical SMILES for 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is O=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)OC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The InChIKey is WNQWZEBLMKCBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N2O7/c45-39(23-3-1-13-25-43-41(47)49-27-37-33-19-9-5-15-29(33)30-16-6-10-20-34(30)37)51-40(46)24-4-2-14-26-44-42(48)50-28-38-35-21-11-7-17-31(35)32-18-8-12-22-36(32)38/h5-12,15-22,37-38H,1-4,13-14,23-28H2,(H,43,47)(H,44,48).
What are the key properties of 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate has a molecular weight of 688.82 g/mol, XLogP of 8.25, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is sourced from PubChem (CID 21043295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).