1-(4-hexoxyphenyl)-9H-carbazole

C24H25NO — CID 141338057

IUPAC1-(4-hexoxyphenyl)-9H-carbazole
SMILESCCCCCCOc1ccc(-c2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H25NO/c1-2-3-4-7-17-26-19-15-13-18(14-16-19)20-10-8-11-22-21-9-5-6-12-23(21)25-24(20)22/h5-6,8-16,25H,2-4,7,17H2,1H3
InChIKeyGWDGAOFVJBCIOR-UHFFFAOYSA-N
MW343.47 g/mol
LogP6.95
Rot. Bonds7

About 1-(4-hexoxyphenyl)-9H-carbazole

1-(4-hexoxyphenyl)-9H-carbazole (PubChem CID 141338057) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(4-hexoxyphenyl)-9H-carbazole.

Molecular Properties

Compound Name1-(4-hexoxyphenyl)-9H-carbazole
PubChem CID141338057
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name1-(4-hexoxyphenyl)-9H-carbazole
SMILESCCCCCCOc1ccc(-c2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C24H25NO/c1-2-3-4-7-17-26-19-15-13-18(14-16-19)20-10-8-11-22-21-9-5-6-12-23(21)25-24(20)22/h5-6,8-16,25H,2-4,7,17H2,1H3
InChIKeyGWDGAOFVJBCIOR-UHFFFAOYSA-N
XLogP6.95
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.95
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-(2-octoxyphenyl)-9H-carbazole
CID 174629986
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole
CID 161246536
1-pentoxy-4-phenylbenzene
CID 7021155
1-(6-phenoxyhexyl)-9H-carbazole
CID 141296820
1-(4-hexoxyphenyl)-9-methylcarbazole
CID 175494654
1-ethenyl-2-(4-tetradecoxyphenyl)benzene
CID 102407772
1-nonyl-9H-carbazole
CID 66872642
bis[4-(9H-carbazol-1-yl)phenyl]diazene
CID 140514298
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxyphenyl)-9H-carbazole?
The IUPAC name of 1-(4-hexoxyphenyl)-9H-carbazole (CID 141338057) is 1-(4-hexoxyphenyl)-9H-carbazole.
What is the SMILES notation for 1-(4-hexoxyphenyl)-9H-carbazole?
The canonical SMILES for 1-(4-hexoxyphenyl)-9H-carbazole is CCCCCCOc1ccc(-c2cccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-(4-hexoxyphenyl)-9H-carbazole?
The InChIKey is GWDGAOFVJBCIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-2-3-4-7-17-26-19-15-13-18(14-16-19)20-10-8-11-22-21-9-5-6-12-23(21)25-24(20)22/h5-6,8-16,25H,2-4,7,17H2,1H3.
What are the key properties of 1-(4-hexoxyphenyl)-9H-carbazole?
1-(4-hexoxyphenyl)-9H-carbazole has a molecular weight of 343.47 g/mol, XLogP of 6.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxyphenyl)-9H-carbazole is sourced from PubChem (CID 141338057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).