9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene

C158H131NO6 — CID 161464445

IUPAC9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene
SMILESC(=C1c2ccccc2-c2ccccc21)c1ccccc1.CCCCCC=C1c2ccccc2-c2ccccc21.CCCCCCC1c2ccccc2-c2ccccc21.COC1c2ccccc2-c2ccccc21.O=C(O)C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21.OC1c2ccccc2-c2ccccc21.ON=C1c2ccccc2-c2ccccc21.c1ccc(CC2c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H16.C20H14.C19H22.C19H20.C14H10O2.C14H12O.C13H9NO.C13H10O.C13H8O.C13H10/c2*1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20;2*1-2-3-4-5-10-15-16-11-6-8-13-18(16)19-14-9-7-12-17(15)19;15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-15-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;2*14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-13,20H,14H2;1-14H;6-9,11-15H,2-5,10H2,1H3;6-14H,2-5H2,1H3;1-8,13H,(H,15,16);2-9,14H,1H3;1-8,15H;1-8,13-14H;1-8H;1-8H,9H2
InChIKeyWCFWOIQZWAKJJA-UHFFFAOYSA-N
MW2139.79 g/mol
LogP39.83
Rot. Bonds14

About 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene

9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene (PubChem CID 161464445) has the molecular formula C158H131NO6 and a molecular weight of 2139.79 g/mol. Its IUPAC name is 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene.

Molecular Properties

Compound Name9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene
PubChem CID161464445
Molecular FormulaC158H131NO6
Molecular Weight2139.79 g/mol
Exact Mass2138.00
IUPAC Name9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene
SMILESC(=C1c2ccccc2-c2ccccc21)c1ccccc1.CCCCCC=C1c2ccccc2-c2ccccc21.CCCCCCC1c2ccccc2-c2ccccc21.COC1c2ccccc2-c2ccccc21.O=C(O)C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21.OC1c2ccccc2-c2ccccc21.ON=C1c2ccccc2-c2ccccc21.c1ccc(CC2c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H16.C20H14.C19H22.C19H20.C14H10O2.C14H12O.C13H9NO.C13H10O.C13H8O.C13H10/c2*1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20;2*1-2-3-4-5-10-15-16-11-6-8-13-18(16)19-14-9-7-12-17(15)19;15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-15-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;2*14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-13,20H,14H2;1-14H;6-9,11-15H,2-5,10H2,1H3;6-14H,2-5H2,1H3;1-8,13H,(H,15,16);2-9,14H,1H3;1-8,15H;1-8,13-14H;1-8H;1-8H,9H2
InChIKeyWCFWOIQZWAKJJA-UHFFFAOYSA-N
XLogP39.83
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002139.79
LogP ≤ 539.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene?
The IUPAC name of 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene (CID 161464445) is 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene.
What is the SMILES notation for 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene?
The canonical SMILES for 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene is C(=C1c2ccccc2-c2ccccc21)c1ccccc1.CCCCCC=C1c2ccccc2-c2ccccc21.CCCCCCC1c2ccccc2-c2ccccc21.COC1c2ccccc2-c2ccccc21.O=C(O)C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21.OC1c2ccccc2-c2ccccc21.ON=C1c2ccccc2-c2ccccc21.c1ccc(CC2c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene?
The InChIKey is WCFWOIQZWAKJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.C20H14.C19H22.C19H20.C14H10O2.C14H12O.C13H9NO.C13H10O.C13H8O.C13H10/c2*1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20;2*1-2-3-4-5-10-15-16-11-6-8-13-18(16)19-14-9-7-12-17(15)19;15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-15-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;2*14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-13,20H,14H2;1-14H;6-9,11-15H,2-5,10H2,1H3;6-14H,2-5H2,1H3;1-8,13H,(H,15,16);2-9,14H,1H3;1-8,15H;1-8,13-14H;1-8H;1-8H,9H2.
What are the key properties of 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene?
9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene has a molecular weight of 2139.79 g/mol, XLogP of 39.83, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-9H-fluorene;9-benzylidenefluorene;9H-fluorene;9H-fluorene-9-carboxylic acid;9H-fluoren-9-ol;fluoren-9-one;N-fluoren-9-ylidenehydroxylamine;9-hexyl-9H-fluorene;9-hexylidenefluorene;9-methoxy-9H-fluorene is sourced from PubChem (CID 161464445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).