2-(9-decylcarbazol-1-yl)benzene-1,4-diol

C28H33NO2 — CID 68603527

IUPAC2-(9-decylcarbazol-1-yl)benzene-1,4-diol
SMILESCCCCCCCCCCn1c2ccccc2c2cccc(-c3cc(O)ccc3O)c21
InChIInChI=1S/C28H33NO2/c1-2-3-4-5-6-7-8-11-19-29-26-16-10-9-13-22(26)23-14-12-15-24(28(23)29)25-20-21(30)17-18-27(25)31/h9-10,12-18,20,30-31H,2-8,11,19H2,1H3
InChIKeyQESHROCGHDOUDD-UHFFFAOYSA-N
MW415.58 g/mol
LogP8.01
Rot. Bonds10

About 2-(9-decylcarbazol-1-yl)benzene-1,4-diol

2-(9-decylcarbazol-1-yl)benzene-1,4-diol (PubChem CID 68603527) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-(9-decylcarbazol-1-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(9-decylcarbazol-1-yl)benzene-1,4-diol
PubChem CID68603527
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name2-(9-decylcarbazol-1-yl)benzene-1,4-diol
SMILESCCCCCCCCCCn1c2ccccc2c2cccc(-c3cc(O)ccc3O)c21
InChIInChI=1S/C28H33NO2/c1-2-3-4-5-6-7-8-11-19-29-26-16-10-9-13-22(26)23-14-12-15-24(28(23)29)25-20-21(30)17-18-27(25)31/h9-10,12-18,20,30-31H,2-8,11,19H2,1H3
InChIKeyQESHROCGHDOUDD-UHFFFAOYSA-N
XLogP8.01
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-octylcarbazol-1-ol
CID 160567195
9-butylcarbazol-3-ol
CID 140908966
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282
1-bromo-9-heptadecylcarbazole
CID 174836685
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
2-(6-bromo-9-hexylcarbazol-1-yl)aniline
CID 174702523
1-ethenyl-9-heptylcarbazole
CID 162355776
1,2-dibromo-9-hexylcarbazole
CID 141427471
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
5-hexylindeno[2,1-b]carbazol-7-one
CID 71062005

Frequently Asked Questions

What is the IUPAC name of 2-(9-decylcarbazol-1-yl)benzene-1,4-diol?
The IUPAC name of 2-(9-decylcarbazol-1-yl)benzene-1,4-diol (CID 68603527) is 2-(9-decylcarbazol-1-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(9-decylcarbazol-1-yl)benzene-1,4-diol?
The canonical SMILES for 2-(9-decylcarbazol-1-yl)benzene-1,4-diol is CCCCCCCCCCn1c2ccccc2c2cccc(-c3cc(O)ccc3O)c21.
What is the InChIKey of 2-(9-decylcarbazol-1-yl)benzene-1,4-diol?
The InChIKey is QESHROCGHDOUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-2-3-4-5-6-7-8-11-19-29-26-16-10-9-13-22(26)23-14-12-15-24(28(23)29)25-20-21(30)17-18-27(25)31/h9-10,12-18,20,30-31H,2-8,11,19H2,1H3.
What are the key properties of 2-(9-decylcarbazol-1-yl)benzene-1,4-diol?
2-(9-decylcarbazol-1-yl)benzene-1,4-diol has a molecular weight of 415.58 g/mol, XLogP of 8.01, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-decylcarbazol-1-yl)benzene-1,4-diol is sourced from PubChem (CID 68603527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).