2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate

C80H133BrNO27+ — CID 58473593

IUPAC2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate
SMILES[CH2+]C(C)(C)OC(=O)NCCCCOc1ccc(-c2ccc3c(c2)C(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(Br)ccc2-3)cc1
InChIInChI=1S/C80H132BrNO27/c1-79(2,3)109-78(83)82-20-6-7-23-108-73-14-10-70(11-15-73)71-12-16-74-75-17-13-72(81)69-77(75)80(76(74)68-71,18-8-21-86-28-30-90-36-38-94-44-46-98-52-54-102-60-62-106-66-64-104-58-56-100-50-48-96-42-40-92-34-32-88-26-24-84-4)19-9-22-87-29-31-91-37-39-95-45-47-99-53-55-103-61-63-107-67-65-105-59-57-101-51-49-97-43-41-93-35-33-89-27-25-85-5/h10-17,68-69H,1,6-9,18-67H2,2-5H3/p+1
InChIKeyWMQZXZLRZYGSJI-UHFFFAOYSA-O
MW1620.83 g/mol
LogP9.10
Rot. Bonds82

About 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate

2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate (PubChem CID 58473593) has the molecular formula C80H133BrNO27+ and a molecular weight of 1620.83 g/mol. Its IUPAC name is 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate.

Molecular Properties

Compound Name2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate
PubChem CID58473593
Molecular FormulaC80H133BrNO27+
Molecular Weight1620.83 g/mol
Exact Mass1618.82
IUPAC Name2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate
SMILES[CH2+]C(C)(C)OC(=O)NCCCCOc1ccc(-c2ccc3c(c2)C(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(Br)ccc2-3)cc1
InChIInChI=1S/C80H132BrNO27/c1-79(2,3)109-78(83)82-20-6-7-23-108-73-14-10-70(11-15-73)71-12-16-74-75-17-13-72(81)69-77(75)80(76(74)68-71,18-8-21-86-28-30-90-36-38-94-44-46-98-52-54-102-60-62-106-66-64-104-58-56-100-50-48-96-42-40-92-34-32-88-26-24-84-4)19-9-22-87-29-31-91-37-39-95-45-47-99-53-55-103-61-63-107-67-65-105-59-57-101-51-49-97-43-41-93-35-33-89-27-25-85-5/h10-17,68-69H,1,6-9,18-67H2,2-5H3/p+1
InChIKeyWMQZXZLRZYGSJI-UHFFFAOYSA-O
XLogP9.10
TPSA269.08 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds82
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001620.83
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate with MolForge

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Related Compounds

tert-butyl 3-[2-[4-[7-[4-(4-acetamidobutoxy)phenyl]-9,9-bis[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]ethoxy]propanoate
CID 58473691
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-[4-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-phenylfluoren-2-yl]phenoxy]butyl]propanamide
CID 58479276
4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine
CID 58473634
2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
CID 58473533
tert-butyl N-[4-[4-[4-[2-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-4-[4-[9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]phenyl]phenoxy]butyl]carbamate
CID 58473610
4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde
CID 160500638
1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate
CID 159743531
[6-[4-[4-[4-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2,5-difluorophenyl]phenoxy]butylamino]-6-oxohexyl]azaniumylideneazanide
CID 169012641
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-[4-[9-[3-(2-hydroxyethoxy)propyl]-9-[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]phenyl]butanamide
CID 170057614
2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate
CID 157321741
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
(2R)-butan-2-amine;(2,5-dioxopyrrolidin-1-yl) 4-[4-[4-[7-(9H-fluoren-2-yl)-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butylamino]-4-oxobutanoate;ethane;methane;2-methylbutane;N-methylthiohydroxylamine;propane
CID 159451588

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate?
The IUPAC name of 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate (CID 58473593) is 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate.
What is the SMILES notation for 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate?
The canonical SMILES for 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate is [CH2+]C(C)(C)OC(=O)NCCCCOc1ccc(-c2ccc3c(c2)C(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(Br)ccc2-3)cc1.
What is the InChIKey of 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate?
The InChIKey is WMQZXZLRZYGSJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C80H132BrNO27/c1-79(2,3)109-78(83)82-20-6-7-23-108-73-14-10-70(11-15-73)71-12-16-74-75-17-13-72(81)69-77(75)80(76(74)68-71,18-8-21-86-28-30-90-36-38-94-44-46-98-52-54-102-60-62-106-66-64-104-58-56-100-50-48-96-42-40-92-34-32-88-26-24-84-4)19-9-22-87-29-31-91-37-39-95-45-47-99-53-55-103-61-63-107-67-65-105-59-57-101-51-49-97-43-41-93-35-33-89-27-25-85-5/h10-17,68-69H,1,6-9,18-67H2,2-5H3/p+1.
What are the key properties of 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate?
2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate has a molecular weight of 1620.83 g/mol, XLogP of 9.10, 82 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate is sourced from PubChem (CID 58473593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).