5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde

C30H43NO — CID 10765248

IUPAC5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCc1ccc(C=O)[nH]1
InChIInChI=1S/C30H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-27-30(28-32)31-29/h3-4,6-7,9-10,12-13,15-16,18-19,26-28,31H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyFUXFVWGBGSSGQH-KUBAVDMBSA-N
MW433.68 g/mol
LogP9.02
Rot. Bonds19

About 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde

5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde (PubChem CID 10765248) has the molecular formula C30H43NO and a molecular weight of 433.68 g/mol. Its IUPAC name is 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde
PubChem CID10765248
Molecular FormulaC30H43NO
Molecular Weight433.68 g/mol
Exact Mass433.33
IUPAC Name5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCc1ccc(C=O)[nH]1
InChIInChI=1S/C30H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-27-30(28-32)31-29/h3-4,6-7,9-10,12-13,15-16,18-19,26-28,31H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyFUXFVWGBGSSGQH-KUBAVDMBSA-N
XLogP9.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.68
LogP ≤ 59.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[(12Z,15Z)-henicosa-12,15-dienyl]-1H-pyrrole-2-carbaldehyde
CID 11153371
5-tricosa-14,17-dienyl-1H-pyrrole-2-carbaldehyde
CID 72971577
(6Z,9Z)-21-(5-formyl-1H-pyrrol-2-yl)henicosa-6,9-dienenitrile
CID 46186992
5-[(Z)-14-methylpentadec-7-enyl]-1H-pyrrole-2-carbaldehyde
CID 44605147
5-octadecyl-1H-pyrrole-2-carbaldehyde
CID 10360349
(Z)-24-(5-formyl-1H-pyrrol-2-yl)tetracos-8-enenitrile
CID 44604942
22-(5-formyl-1H-pyrrol-2-yl)docos-8-enenitrile
CID 75079686
5-pentacosa-10,13,16,19,22-pentaenoyl-1H-pyrrole-2-carbaldehyde
CID 72798487
19-(5-formyl-1H-pyrrol-2-yl)nonadecanenitrile
CID 44604946
16-(5-formyl-1H-pyrrol-2-yl)hexadecanenitrile
CID 44604945
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141

Frequently Asked Questions

What is the IUPAC name of 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde (CID 10765248) is 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCc1ccc(C=O)[nH]1.
What is the InChIKey of 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde?
The InChIKey is FUXFVWGBGSSGQH-KUBAVDMBSA-N. The full InChI is InChI=1S/C30H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-27-30(28-32)31-29/h3-4,6-7,9-10,12-13,15-16,18-19,26-28,31H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde?
5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde has a molecular weight of 433.68 g/mol, XLogP of 9.02, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenyl]-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 10765248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).