6-nonyl-3,4-diphenylphthalaldehyde

C29H32O2 — CID 87274441

IUPAC6-nonyl-3,4-diphenylphthalaldehyde
SMILESCCCCCCCCCc1cc(-c2ccccc2)c(-c2ccccc2)c(C=O)c1C=O
InChIInChI=1S/C29H32O2/c1-2-3-4-5-6-7-10-19-25-20-26(23-15-11-8-12-16-23)29(24-17-13-9-14-18-24)28(22-31)27(25)21-30/h8-9,11-18,20-22H,2-7,10,19H2,1H3
InChIKeyXQPMEBAKPRCORG-UHFFFAOYSA-N
MW412.57 g/mol
LogP7.94
Rot. Bonds12

About 6-nonyl-3,4-diphenylphthalaldehyde

6-nonyl-3,4-diphenylphthalaldehyde (PubChem CID 87274441) has the molecular formula C29H32O2 and a molecular weight of 412.57 g/mol. Its IUPAC name is 6-nonyl-3,4-diphenylphthalaldehyde.

Molecular Properties

Compound Name6-nonyl-3,4-diphenylphthalaldehyde
PubChem CID87274441
Molecular FormulaC29H32O2
Molecular Weight412.57 g/mol
Exact Mass412.24
IUPAC Name6-nonyl-3,4-diphenylphthalaldehyde
SMILESCCCCCCCCCc1cc(-c2ccccc2)c(-c2ccccc2)c(C=O)c1C=O
InChIInChI=1S/C29H32O2/c1-2-3-4-5-6-7-10-19-25-20-26(23-15-11-8-12-16-23)29(24-17-13-9-14-18-24)28(22-31)27(25)21-30/h8-9,11-18,20-22H,2-7,10,19H2,1H3
InChIKeyXQPMEBAKPRCORG-UHFFFAOYSA-N
XLogP7.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-6-(2-phenylphenyl)phthalaldehyde
CID 154432223
1-hexyl-2,3-diphenylbenzene
CID 54065322
3-ethyl-4-nonyl-2,6-diphenylphenol
CID 174697041
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
gold;1-pentyl-2-phenylbenzene
CID 174945702
1-bromo-4-[4-[4-[4-[4-[4-[2,5-dihexyl-4-(4-phenylphenyl)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylphenyl]phenyl]-2,5-dihexylbenzene
CID 169036195
3,4-difluoro-1-octyl-5-(4-phenylphenyl)-2-propylbenzene
CID 19107988
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970
3-dodecyl-4-phenylbenzoic acid
CID 19933758
2-hexyl-6-hydroxybenzaldehyde
CID 19389412

Frequently Asked Questions

What is the IUPAC name of 6-nonyl-3,4-diphenylphthalaldehyde?
The IUPAC name of 6-nonyl-3,4-diphenylphthalaldehyde (CID 87274441) is 6-nonyl-3,4-diphenylphthalaldehyde.
What is the SMILES notation for 6-nonyl-3,4-diphenylphthalaldehyde?
The canonical SMILES for 6-nonyl-3,4-diphenylphthalaldehyde is CCCCCCCCCc1cc(-c2ccccc2)c(-c2ccccc2)c(C=O)c1C=O.
What is the InChIKey of 6-nonyl-3,4-diphenylphthalaldehyde?
The InChIKey is XQPMEBAKPRCORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O2/c1-2-3-4-5-6-7-10-19-25-20-26(23-15-11-8-12-16-23)29(24-17-13-9-14-18-24)28(22-31)27(25)21-30/h8-9,11-18,20-22H,2-7,10,19H2,1H3.
What are the key properties of 6-nonyl-3,4-diphenylphthalaldehyde?
6-nonyl-3,4-diphenylphthalaldehyde has a molecular weight of 412.57 g/mol, XLogP of 7.94, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonyl-3,4-diphenylphthalaldehyde is sourced from PubChem (CID 87274441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).