[4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate

C59H56N2O8 — CID 59392167

IUPAC[4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(N(c2ccc(COC(=O)C(=C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(COC(=O)C(=C)C)cc4)c4ccc(COC(=O)C(=C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C59H56N2O8/c1-37(2)55(62)66-33-41-11-19-45(20-12-41)60(46-21-13-42(14-22-46)34-67-56(63)38(3)4)49-27-29-51-52-30-28-50(32-54(52)59(9,10)53(51)31-49)61(47-23-15-43(16-24-47)35-68-57(64)39(5)6)48-25-17-44(18-26-48)36-69-58(65)40(7)8/h11-32H,1,3,5,7,33-36H2,2,4,6,8-10H3
InChIKeyPKWLOOCPCPDCEH-UHFFFAOYSA-N
MW921.10 g/mol
LogP13.41
Rot. Bonds18

About [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate

[4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate (PubChem CID 59392167) has the molecular formula C59H56N2O8 and a molecular weight of 921.10 g/mol. Its IUPAC name is [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
PubChem CID59392167
Molecular FormulaC59H56N2O8
Molecular Weight921.10 g/mol
Exact Mass920.40
IUPAC Name[4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(N(c2ccc(COC(=O)C(=C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(COC(=O)C(=C)C)cc4)c4ccc(COC(=O)C(=C)C)cc4)ccc2-3)cc1
InChIInChI=1S/C59H56N2O8/c1-37(2)55(62)66-33-41-11-19-45(20-12-41)60(46-21-13-42(14-22-46)34-67-56(63)38(3)4)49-27-29-51-52-30-28-50(32-54(52)59(9,10)53(51)31-49)61(47-23-15-43(16-24-47)35-68-57(64)39(5)6)48-25-17-44(18-26-48)36-69-58(65)40(7)8/h11-32H,1,3,5,7,33-36H2,2,4,6,8-10H3
InChIKeyPKWLOOCPCPDCEH-UHFFFAOYSA-N
XLogP13.41
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.10
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate with MolForge

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Related Compounds

[4-[N-[9,9-dimethyl-7-[4-(prop-2-enoyloxymethyl)-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(prop-2-enoyloxymethyl)anilino]phenyl]methyl prop-2-enoate
CID 58385641
[4-[N-(3,4-dimethylphenyl)-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59392120
[3-[[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]methyl]-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 58876595
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832690
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-(4-phenylphenyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832811
methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate
CID 58385648
9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethoxy]phenyl]fluorene-2,7-diamine
CID 58403161
[4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate
CID 59832740
[4-[4-[(1-hydroxy-2-methylpropoxy)methyl]-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 58090206
2-[[4-(N-phenylanilino)phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 59392121
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
[4-[N-(3-butyl-4-methylphenyl)-4-(prop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate
CID 89328506

Frequently Asked Questions

What is the IUPAC name of [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate (CID 59392167) is [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccc(N(c2ccc(COC(=O)C(=C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(COC(=O)C(=C)C)cc4)c4ccc(COC(=O)C(=C)C)cc4)ccc2-3)cc1.
What is the InChIKey of [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is PKWLOOCPCPDCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H56N2O8/c1-37(2)55(62)66-33-41-11-19-45(20-12-41)60(46-21-13-42(14-22-46)34-67-56(63)38(3)4)49-27-29-51-52-30-28-50(32-54(52)59(9,10)53(51)31-49)61(47-23-15-43(16-24-47)35-68-57(64)39(5)6)48-25-17-44(18-26-48)36-69-58(65)40(7)8/h11-32H,1,3,5,7,33-36H2,2,4,6,8-10H3.
What are the key properties of [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate?
[4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 921.10 g/mol, XLogP of 13.41, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[N-[9,9-dimethyl-7-[4-(2-methylprop-2-enoyloxymethyl)-N-[4-(2-methylprop-2-enoyloxymethyl)phenyl]anilino]fluoren-2-yl]-4-(2-methylprop-2-enoyloxymethyl)anilino]phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 59392167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).