9-dodecylcarbazole-3,6-dicarbaldehyde

C26H33NO2 — CID 22559825

IUPAC9-dodecylcarbazole-3,6-dicarbaldehyde
SMILESCCCCCCCCCCCCn1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C26H33NO2/c1-2-3-4-5-6-7-8-9-10-11-16-27-25-14-12-21(19-28)17-23(25)24-18-22(20-29)13-15-26(24)27/h12-15,17-20H,2-11,16H2,1H3
InChIKeyHRCZGSAYNFYSQX-UHFFFAOYSA-N
MW391.56 g/mol
LogP7.34
Rot. Bonds13

About 9-dodecylcarbazole-3,6-dicarbaldehyde

9-dodecylcarbazole-3,6-dicarbaldehyde (PubChem CID 22559825) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 9-dodecylcarbazole-3,6-dicarbaldehyde.

Molecular Properties

Compound Name9-dodecylcarbazole-3,6-dicarbaldehyde
PubChem CID22559825
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name9-dodecylcarbazole-3,6-dicarbaldehyde
SMILESCCCCCCCCCCCCn1c2ccc(C=O)cc2c2cc(C=O)ccc21
InChIInChI=1S/C26H33NO2/c1-2-3-4-5-6-7-8-9-10-11-16-27-25-14-12-21(19-28)17-23(25)24-18-22(20-29)13-15-26(24)27/h12-15,17-20H,2-11,16H2,1H3
InChIKeyHRCZGSAYNFYSQX-UHFFFAOYSA-N
XLogP7.34
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
9-octylcarbazole-2-carbaldehyde
CID 71623415
9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde
CID 156767863
4-[14,23-bis(4-formylphenyl)-18,27-dihexyl-9-methyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaen-5-yl]benzaldehyde
CID 143088809
3-bromo-6-[(E)-2-(6-bromo-9-hexylcarbazol-3-yl)ethenyl]-9-hexylcarbazole
CID 139088492
6-(1,3-benzothiazol-2-yl)-9-hexylcarbazole-3-carbaldehyde
CID 175666510
9-hexyl-3,6-bis[(E)-2-pyridin-4-ylethenyl]carbazole
CID 101105073
5-[[9-hexyl-6-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]carbazol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 122400981
5-[6-(5-formylthiophen-2-yl)-9-octylcarbazol-3-yl]thiophene-2-carbaldehyde
CID 141456371
3,6-ditert-butyl-9-hexylcarbazole
CID 146671988
3,6-ditert-butyl-9-heptylcarbazole
CID 146635987
1-(6-bromo-9-hexylcarbazol-3-yl)-N-[4-[(6-bromo-9-hexylcarbazol-3-yl)methylideneamino]phenyl]methanimine
CID 101382330

Frequently Asked Questions

What is the IUPAC name of 9-dodecylcarbazole-3,6-dicarbaldehyde?
The IUPAC name of 9-dodecylcarbazole-3,6-dicarbaldehyde (CID 22559825) is 9-dodecylcarbazole-3,6-dicarbaldehyde.
What is the SMILES notation for 9-dodecylcarbazole-3,6-dicarbaldehyde?
The canonical SMILES for 9-dodecylcarbazole-3,6-dicarbaldehyde is CCCCCCCCCCCCn1c2ccc(C=O)cc2c2cc(C=O)ccc21.
What is the InChIKey of 9-dodecylcarbazole-3,6-dicarbaldehyde?
The InChIKey is HRCZGSAYNFYSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2/c1-2-3-4-5-6-7-8-9-10-11-16-27-25-14-12-21(19-28)17-23(25)24-18-22(20-29)13-15-26(24)27/h12-15,17-20H,2-11,16H2,1H3.
What are the key properties of 9-dodecylcarbazole-3,6-dicarbaldehyde?
9-dodecylcarbazole-3,6-dicarbaldehyde has a molecular weight of 391.56 g/mol, XLogP of 7.34, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dodecylcarbazole-3,6-dicarbaldehyde is sourced from PubChem (CID 22559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).