1-(4-hexoxyphenyl)-9-methylcarbazole

C25H27NO — CID 175494654

IUPAC1-(4-hexoxyphenyl)-9-methylcarbazole
SMILESCCCCCCOc1ccc(-c2cccc3c4ccccc4n(C)c23)cc1
InChIInChI=1S/C25H27NO/c1-3-4-5-8-18-27-20-16-14-19(15-17-20)21-11-9-12-23-22-10-6-7-13-24(22)26(2)25(21)23/h6-7,9-17H,3-5,8,18H2,1-2H3
InChIKeyMZXUNMAUQYAIIK-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.96
Rot. Bonds7

About 1-(4-hexoxyphenyl)-9-methylcarbazole

1-(4-hexoxyphenyl)-9-methylcarbazole (PubChem CID 175494654) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(4-hexoxyphenyl)-9-methylcarbazole.

Molecular Properties

Compound Name1-(4-hexoxyphenyl)-9-methylcarbazole
PubChem CID175494654
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name1-(4-hexoxyphenyl)-9-methylcarbazole
SMILESCCCCCCOc1ccc(-c2cccc3c4ccccc4n(C)c23)cc1
InChIInChI=1S/C25H27NO/c1-3-4-5-8-18-27-20-16-14-19(15-17-20)21-11-9-12-23-22-10-6-7-13-24(22)26(2)25(21)23/h6-7,9-17H,3-5,8,18H2,1-2H3
InChIKeyMZXUNMAUQYAIIK-UHFFFAOYSA-N
XLogP6.96
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxyphenyl)-9-methylcarbazole?
The IUPAC name of 1-(4-hexoxyphenyl)-9-methylcarbazole (CID 175494654) is 1-(4-hexoxyphenyl)-9-methylcarbazole.
What is the SMILES notation for 1-(4-hexoxyphenyl)-9-methylcarbazole?
The canonical SMILES for 1-(4-hexoxyphenyl)-9-methylcarbazole is CCCCCCOc1ccc(-c2cccc3c4ccccc4n(C)c23)cc1.
What is the InChIKey of 1-(4-hexoxyphenyl)-9-methylcarbazole?
The InChIKey is MZXUNMAUQYAIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-3-4-5-8-18-27-20-16-14-19(15-17-20)21-11-9-12-23-22-10-6-7-13-24(22)26(2)25(21)23/h6-7,9-17H,3-5,8,18H2,1-2H3.
What are the key properties of 1-(4-hexoxyphenyl)-9-methylcarbazole?
1-(4-hexoxyphenyl)-9-methylcarbazole has a molecular weight of 357.50 g/mol, XLogP of 6.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxyphenyl)-9-methylcarbazole is sourced from PubChem (CID 175494654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).