9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine

C55H64N2O6 — CID 134222945

IUPAC9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
SMILESCOCCOCCOCCC1(CCOCCOCCOC)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21
InChIInChI=1S/C55H64N2O6/c1-41-7-15-45(16-8-41)56(46-17-9-42(2)10-18-46)49-23-25-51-52-26-24-50(57(47-19-11-43(3)12-20-47)48-21-13-44(4)14-22-48)40-54(52)55(53(51)39-49,27-29-60-35-37-62-33-31-58-5)28-30-61-36-38-63-34-32-59-6/h7-26,39-40H,27-38H2,1-6H3
InChIKeyUTABDORMSIMGMQ-UHFFFAOYSA-N
MW849.12 g/mol
LogP12.27
Rot. Bonds24

About 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine

9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine (PubChem CID 134222945) has the molecular formula C55H64N2O6 and a molecular weight of 849.12 g/mol. Its IUPAC name is 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
PubChem CID134222945
Molecular FormulaC55H64N2O6
Molecular Weight849.12 g/mol
Exact Mass848.48
IUPAC Name9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
SMILESCOCCOCCOCCC1(CCOCCOCCOC)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21
InChIInChI=1S/C55H64N2O6/c1-41-7-15-45(16-8-41)56(46-17-9-42(2)10-18-46)49-23-25-51-52-26-24-50(57(47-19-11-43(3)12-20-47)48-21-13-44(4)14-22-48)40-54(52)55(53(51)39-49,27-29-60-35-37-62-33-31-58-5)28-30-61-36-38-63-34-32-59-6/h7-26,39-40H,27-38H2,1-6H3
InChIKeyUTABDORMSIMGMQ-UHFFFAOYSA-N
XLogP12.27
TPSA61.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.12
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene
CID 142549933
[7-borono-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]boronic acid;ethane
CID 145347180
7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 118424877
6-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,7-dimethylfluoren-9-yl]hexyl-trimethylazanium
CID 153278370
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol
CID 89030603
N-[9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)-3-phenylphenyl]fluoren-2-amine
CID 177287502
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
CID 102358965
2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102153044
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
CID 58473533

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine?
The IUPAC name of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine (CID 134222945) is 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine.
What is the SMILES notation for 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine?
The canonical SMILES for 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine is COCCOCCOCCC1(CCOCCOCCOC)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc21.
What is the InChIKey of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine?
The InChIKey is UTABDORMSIMGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H64N2O6/c1-41-7-15-45(16-8-41)56(46-17-9-42(2)10-18-46)49-23-25-51-52-26-24-50(57(47-19-11-43(3)12-20-47)48-21-13-44(4)14-22-48)40-54(52)55(53(51)39-49,27-29-60-35-37-62-33-31-58-5)28-30-61-36-38-63-34-32-59-6/h7-26,39-40H,27-38H2,1-6H3.
What are the key properties of 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine?
9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine has a molecular weight of 849.12 g/mol, XLogP of 12.27, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 134222945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).