2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide

C30H24N2O6 — CID 59912788

IUPAC2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)C(=O)c2cc(C(=O)NCc4ccc(O)c(O)c4)ccc2-3)cc1O
InChIInChI=1S/C30H24N2O6/c1-16-2-3-17(10-26(16)34)14-31-29(37)19-5-7-21-22-8-6-20(13-24(22)28(36)23(21)12-19)30(38)32-15-18-4-9-25(33)27(35)11-18/h2-13,33-35H,14-15H2,1H3,(H,31,37)(H,32,38)
InChIKeyFBGJKJFNQMWGTL-UHFFFAOYSA-N
MW508.53 g/mol
LogP4.18
Rot. Bonds6

About 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide

2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide (PubChem CID 59912788) has the molecular formula C30H24N2O6 and a molecular weight of 508.53 g/mol. Its IUPAC name is 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide
PubChem CID59912788
Molecular FormulaC30H24N2O6
Molecular Weight508.53 g/mol
Exact Mass508.16
IUPAC Name2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)C(=O)c2cc(C(=O)NCc4ccc(O)c(O)c4)ccc2-3)cc1O
InChIInChI=1S/C30H24N2O6/c1-16-2-3-17(10-26(16)34)14-31-29(37)19-5-7-21-22-8-6-20(13-24(22)28(36)23(21)12-19)30(38)32-15-18-4-9-25(33)27(35)11-18/h2-13,33-35H,14-15H2,1H3,(H,31,37)(H,32,38)
InChIKeyFBGJKJFNQMWGTL-UHFFFAOYSA-N
XLogP4.18
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.53
LogP ≤ 54.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide?
The IUPAC name of 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide (CID 59912788) is 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide.
What is the SMILES notation for 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide?
The canonical SMILES for 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide is Cc1ccc(CNC(=O)c2ccc3c(c2)C(=O)c2cc(C(=O)NCc4ccc(O)c(O)c4)ccc2-3)cc1O.
What is the InChIKey of 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide?
The InChIKey is FBGJKJFNQMWGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O6/c1-16-2-3-17(10-26(16)34)14-31-29(37)19-5-7-21-22-8-6-20(13-24(22)28(36)23(21)12-19)30(38)32-15-18-4-9-25(33)27(35)11-18/h2-13,33-35H,14-15H2,1H3,(H,31,37)(H,32,38).
What are the key properties of 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide?
2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide has a molecular weight of 508.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-dihydroxyphenyl)methyl]-7-N-[(3-hydroxy-4-methylphenyl)methyl]-9-oxofluorene-2,7-dicarboxamide is sourced from PubChem (CID 59912788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).