benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)

C24H26N4O2 — CID 174923777

IUPACbenzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)
SMILESO=Cc1cccc(C=O)c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/C8H6O2.4C4H5N/c9-5-7-2-1-3-8(4-7)6-10;4*1-2-4-5-3-1/h1-6H;4*1-5H
InChIKeyFZKIIZGCGUPIQW-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.37
Rot. Bonds2

About benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)

benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole) (PubChem CID 174923777) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole).

Molecular Properties

Compound Namebenzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)
PubChem CID174923777
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Namebenzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)
SMILESO=Cc1cccc(C=O)c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1
InChIInChI=1S/C8H6O2.4C4H5N/c9-5-7-2-1-3-8(4-7)6-10;4*1-2-4-5-3-1/h1-6H;4*1-5H
InChIKeyFZKIIZGCGUPIQW-UHFFFAOYSA-N
XLogP5.37
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-dicarbaldehyde;ethane
CID 91375977
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
3-(2-oxoethyl)benzaldehyde
CID 54321672
3-(2-nitroethenyl)benzaldehyde
CID 173163142
CID 134861589
CID 134861589
2-(3-formylphenyl)ethenylideneazanide
CID 139243021
3-(piperidin-4-ylidenemethyl)benzaldehyde
CID 165456396
benzene-1,3-dicarbaldehyde;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 170425148
3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
3-bromobenzaldehyde;hydrobromide
CID 87841856
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)?
The IUPAC name of benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole) (CID 174923777) is benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole).
What is the SMILES notation for benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)?
The canonical SMILES for benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole) is O=Cc1cccc(C=O)c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.
What is the InChIKey of benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)?
The InChIKey is FZKIIZGCGUPIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.4C4H5N/c9-5-7-2-1-3-8(4-7)6-10;4*1-2-4-5-3-1/h1-6H;4*1-5H.
What are the key properties of benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)?
benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole) has a molecular weight of 402.50 g/mol, XLogP of 5.37, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole) is sourced from PubChem (CID 174923777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).