1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one

C33H39NO2 — CID 100997247

IUPAC1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one
SMILESCCCCCCCCCCOc1ccc(/C=N/c2ccc3c(c2)Cc2cc(C(=O)CC)ccc2-3)cc1
InChIInChI=1S/C33H39NO2/c1-3-5-6-7-8-9-10-11-20-36-30-16-12-25(13-17-30)24-34-29-15-19-32-28(23-29)22-27-21-26(33(35)4-2)14-18-31(27)32/h12-19,21,23-24H,3-11,20,22H2,1-2H3/b34-24+
InChIKeyDRNOHVRLRCYPJZ-JGRMKTMXSA-N
MW481.68 g/mol
LogP9.12
Rot. Bonds14

About 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one

1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one (PubChem CID 100997247) has the molecular formula C33H39NO2 and a molecular weight of 481.68 g/mol. Its IUPAC name is 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one
PubChem CID100997247
Molecular FormulaC33H39NO2
Molecular Weight481.68 g/mol
Exact Mass481.30
IUPAC Name1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one
SMILESCCCCCCCCCCOc1ccc(/C=N/c2ccc3c(c2)Cc2cc(C(=O)CC)ccc2-3)cc1
InChIInChI=1S/C33H39NO2/c1-3-5-6-7-8-9-10-11-20-36-30-16-12-25(13-17-30)24-34-29-15-19-32-28(23-29)22-27-21-26(33(35)4-2)14-18-31(27)32/h12-19,21,23-24H,3-11,20,22H2,1-2H3/b34-24+
InChIKeyDRNOHVRLRCYPJZ-JGRMKTMXSA-N
XLogP9.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[[4-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenyl]iminomethyl]phenoxy]carbonylphenyl] 4-hexadecoxybenzoate
CID 122226106
[4-[[4-[[4-(4-heptoxybenzoyl)oxyphenyl]iminomethyl]phenyl]methylideneamino]phenyl] 4-heptoxybenzoate
CID 102158254
4-[(4-heptoxyphenyl)methylideneamino]benzoic acid
CID 43836038
1-[4-[4-[(4-octoxyphenyl)methylideneamino]phenyl]phenyl]dodecan-1-one
CID 100997255
[4-[[4-[2-[4-[[4-(4-hexoxybenzoyl)oxyphenyl]methylideneamino]phenoxy]ethoxy]phenyl]iminomethyl]phenyl] 4-hexoxybenzoate
CID 102027755
[4-[[3-[[4-(4-decoxybenzoyl)oxyphenyl]methylideneamino]phenyl]iminomethyl]phenyl] 4-decoxybenzoate
CID 101148419
methyl 4-[(4-dodecoxyphenyl)methylideneamino]benzoate
CID 102441391
[3-[4-[(4-tetradecoxyphenyl)iminomethyl]benzoyl]oxyphenyl] 4-[(4-hexoxyphenyl)iminomethyl]benzoate
CID 102214417
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448
[4-(naphthalen-2-yliminomethyl)phenyl] 4-tetradecoxybenzoate
CID 100955615
[4-[(4-decoxyphenyl)diazenyl]phenyl] 4-[[3-[[4-[4-[(4-decoxyphenyl)diazenyl]phenoxy]carbonylphenyl]methylideneamino]phenyl]iminomethyl]benzoate
CID 102302528
7-decoxy-9H-fluorene-2-carboxylic acid
CID 22153912

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one?
The IUPAC name of 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one (CID 100997247) is 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one.
What is the SMILES notation for 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one?
The canonical SMILES for 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one is CCCCCCCCCCOc1ccc(/C=N/c2ccc3c(c2)Cc2cc(C(=O)CC)ccc2-3)cc1.
What is the InChIKey of 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one?
The InChIKey is DRNOHVRLRCYPJZ-JGRMKTMXSA-N. The full InChI is InChI=1S/C33H39NO2/c1-3-5-6-7-8-9-10-11-20-36-30-16-12-25(13-17-30)24-34-29-15-19-32-28(23-29)22-27-21-26(33(35)4-2)14-18-31(27)32/h12-19,21,23-24H,3-11,20,22H2,1-2H3/b34-24+.
What are the key properties of 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one?
1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one has a molecular weight of 481.68 g/mol, XLogP of 9.12, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(4-decoxyphenyl)methylideneamino]-9H-fluoren-2-yl]propan-1-one is sourced from PubChem (CID 100997247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).