1-(6-phenoxyhexyl)-9H-carbazole

C24H25NO — CID 141296820

IUPAC1-(6-phenoxyhexyl)-9H-carbazole
SMILESc1ccc(OCCCCCCc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H25NO/c1(2-9-18-26-20-13-5-3-6-14-20)4-11-19-12-10-16-22-21-15-7-8-17-23(21)25-24(19)22/h3,5-8,10,12-17,25H,1-2,4,9,11,18H2
InChIKeyGLGBTKRNYWJMLI-UHFFFAOYSA-N
MW343.47 g/mol
LogP6.50
Rot. Bonds8

About 1-(6-phenoxyhexyl)-9H-carbazole

1-(6-phenoxyhexyl)-9H-carbazole (PubChem CID 141296820) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(6-phenoxyhexyl)-9H-carbazole.

Molecular Properties

Compound Name1-(6-phenoxyhexyl)-9H-carbazole
PubChem CID141296820
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1-(6-phenoxyhexyl)-9H-carbazole
SMILESc1ccc(OCCCCCCc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H25NO/c1(2-9-18-26-20-13-5-3-6-14-20)4-11-19-12-10-16-22-21-15-7-8-17-23(21)25-24(19)22/h3,5-8,10,12-17,25H,1-2,4,9,11,18H2
InChIKeyGLGBTKRNYWJMLI-UHFFFAOYSA-N
XLogP6.50
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-9H-carbazole
CID 66872642
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
1-(4-hexoxyphenyl)-9H-carbazole
CID 141338057
2-(7-phenoxyheptyl)phenol
CID 141346388
3-(9H-carbazol-1-yl)propyl prop-2-enoate
CID 18766698
9H-carbazol-1-ylmethanol
CID 10987211
1-but-3-ynyl-9H-carbazole
CID 173036439
4-N-(4-aminophenyl)-4-N-[6-(9H-carbazol-1-yl)hexyl]benzene-1,4-diamine
CID 141462433
1-(2-octoxyphenyl)-9H-carbazole
CID 174629986
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
2-[2-(9H-carbazol-1-yl)ethyl]undecan-1-ol
CID 164577577
5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenoxyhexyl)-9H-carbazole?
The IUPAC name of 1-(6-phenoxyhexyl)-9H-carbazole (CID 141296820) is 1-(6-phenoxyhexyl)-9H-carbazole.
What is the SMILES notation for 1-(6-phenoxyhexyl)-9H-carbazole?
The canonical SMILES for 1-(6-phenoxyhexyl)-9H-carbazole is c1ccc(OCCCCCCc2cccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-(6-phenoxyhexyl)-9H-carbazole?
The InChIKey is GLGBTKRNYWJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1(2-9-18-26-20-13-5-3-6-14-20)4-11-19-12-10-16-22-21-15-7-8-17-23(21)25-24(19)22/h3,5-8,10,12-17,25H,1-2,4,9,11,18H2.
What are the key properties of 1-(6-phenoxyhexyl)-9H-carbazole?
1-(6-phenoxyhexyl)-9H-carbazole has a molecular weight of 343.47 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenoxyhexyl)-9H-carbazole is sourced from PubChem (CID 141296820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).