4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde

C26H19NO3 — CID 44586962

IUPAC4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(c2ccc3c(c2)Cc2ccccc2-3)CC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H19NO3/c28-16-21-6-5-19(15-26(21)17-7-10-23(11-8-17)27(29)30)18-9-12-25-22(13-18)14-20-3-1-2-4-24(20)25/h1-13,16,26H,14-15H2
InChIKeyXHWREFFKEPYUOD-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.86
Rot. Bonds4

About 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde

4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 44586962) has the molecular formula C26H19NO3 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID44586962
Molecular FormulaC26H19NO3
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(c2ccc3c(c2)Cc2ccccc2-3)CC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H19NO3/c28-16-21-6-5-19(15-26(21)17-7-10-23(11-8-17)27(29)30)18-9-12-25-22(13-18)14-20-3-1-2-4-24(20)25/h1-13,16,26H,14-15H2
InChIKeyXHWREFFKEPYUOD-UHFFFAOYSA-N
XLogP5.86
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

10,13-Dimethyl-7-(4-nitro-benzyl)-1,8,9,10,11,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-3,17-dione
CID 15926853
10,13-Dimethyl-7-[2-(4-nitro-phenyl)-ethyl]-1,8,9,10,11,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-3,17-dione
CID 15926855
(7R,8R,9S,10R,13S,14S)-10,13-dimethyl-7-[2-(4-nitrophenyl)ethyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CID 102068514
(7R,8R,9S,10R,13S,14S)-10,13-dimethyl-7-[3-(4-nitrophenyl)propyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CID 102068516
6-(4-Nitrophenyl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24859559
4-(4-Methylpent-3-enyl)-2-(4-nitrophenyl)benzaldehyde
CID 24858974
4-Naphthalen-2-yl-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24859116
6-(4-Nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859119
6-[4-(dimethylamino)phenyl]-4-(9H-fluoren-2-yl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24859968
(8R,9S,10R,13S,14S)-10,13-dimethyl-7-[(4-nitrophenyl)methyl]-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 15926854
(8R,9S,10R,13S,14S)-10,13-dimethyl-7-[2-(4-nitrophenyl)ethyl]-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 15926856
4-Methyl-2-(4-nitrophenyl)benzaldehyde
CID 44586779

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde (CID 44586962) is 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde is O=CC1=CC=C(c2ccc3c(c2)Cc2ccccc2-3)CC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is XHWREFFKEPYUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3/c28-16-21-6-5-19(15-26(21)17-7-10-23(11-8-17)27(29)30)18-9-12-25-22(13-18)14-20-3-1-2-4-24(20)25/h1-13,16,26H,14-15H2.
What are the key properties of 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde?
4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 393.44 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-2-yl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 44586962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).