9-octylcarbazole-2-carbaldehyde

C21H25NO — CID 71623415

IUPAC9-octylcarbazole-2-carbaldehyde
SMILESCCCCCCCCn1c2ccccc2c2ccc(C=O)cc21
InChIInChI=1S/C21H25NO/c1-2-3-4-5-6-9-14-22-20-11-8-7-10-18(20)19-13-12-17(16-23)15-21(19)22/h7-8,10-13,15-16H,2-6,9,14H2,1H3
InChIKeyQUVIIOGIOPUNFH-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.97
Rot. Bonds8

About 9-octylcarbazole-2-carbaldehyde

9-octylcarbazole-2-carbaldehyde (PubChem CID 71623415) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 9-octylcarbazole-2-carbaldehyde.

Molecular Properties

Compound Name9-octylcarbazole-2-carbaldehyde
PubChem CID71623415
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name9-octylcarbazole-2-carbaldehyde
SMILESCCCCCCCCn1c2ccccc2c2ccc(C=O)cc21
InChIInChI=1S/C21H25NO/c1-2-3-4-5-6-9-14-22-20-11-8-7-10-18(20)19-13-12-17(16-23)15-21(19)22/h7-8,10-13,15-16H,2-6,9,14H2,1H3
InChIKeyQUVIIOGIOPUNFH-UHFFFAOYSA-N
XLogP5.97
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.97
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

9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
5,11-didodecyl-3-[(E)-2-(5-dodecyl-11-methylindolo[3,2-b]carbazol-3-yl)ethenyl]indolo[3,2-b]carbazole
CID 90046031
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588
benzene;9-octylcarbazole
CID 175067369
9-hexyl-2,7-bis[(E)-2-(4-phenylphenyl)ethenyl]carbazole
CID 58937437
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
5,25-didodecyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-one
CID 67958902
9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde
CID 156767863
2-dodecoxy-9-dodecylcarbazole
CID 15163810

Frequently Asked Questions

What is the IUPAC name of 9-octylcarbazole-2-carbaldehyde?
The IUPAC name of 9-octylcarbazole-2-carbaldehyde (CID 71623415) is 9-octylcarbazole-2-carbaldehyde.
What is the SMILES notation for 9-octylcarbazole-2-carbaldehyde?
The canonical SMILES for 9-octylcarbazole-2-carbaldehyde is CCCCCCCCn1c2ccccc2c2ccc(C=O)cc21.
What is the InChIKey of 9-octylcarbazole-2-carbaldehyde?
The InChIKey is QUVIIOGIOPUNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-3-4-5-6-9-14-22-20-11-8-7-10-18(20)19-13-12-17(16-23)15-21(19)22/h7-8,10-13,15-16H,2-6,9,14H2,1H3.
What are the key properties of 9-octylcarbazole-2-carbaldehyde?
9-octylcarbazole-2-carbaldehyde has a molecular weight of 307.44 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-octylcarbazole-2-carbaldehyde is sourced from PubChem (CID 71623415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).