6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde

C19H15NO3 — CID 24859119

IUPAC6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(c2ccccc2)CC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15NO3/c21-13-17-7-6-16(14-4-2-1-3-5-14)12-19(17)15-8-10-18(11-9-15)20(22)23/h1-11,13,19H,12H2
InChIKeyWFUKUPCBGLUUOX-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.29
Rot. Bonds4

About 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde

6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859119) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859119
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(c2ccccc2)CC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15NO3/c21-13-17-7-6-16(14-4-2-1-3-5-14)12-19(17)15-8-10-18(11-9-15)20(22)23/h1-11,13,19H,12H2
InChIKeyWFUKUPCBGLUUOX-UHFFFAOYSA-N
XLogP4.29
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.29
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

6-(4-nitrophenyl)-4-thiophen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
CID 24858818
4-(4-methylpent-3-enyl)-6-(4-nitrophenyl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24858821
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
(2S,4R)-4-(4-nitrophenyl)-2,6-diphenyl-3,4-dihydro-2H-pyran-5-carbonitrile
CID 101117497
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
formyl chloride;nitrobenzene;hydrate
CID 158709717
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde
CID 23958440
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
(2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane
CID 15358071
(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 71444866

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859119) is 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde is O=CC1=CC=C(c2ccccc2)CC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is WFUKUPCBGLUUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-13-17-7-6-16(14-4-2-1-3-5-14)12-19(17)15-8-10-18(11-9-15)20(22)23/h1-11,13,19H,12H2.
What are the key properties of 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde?
6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 305.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)-4-phenylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).