4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol

C28H25NO2 — CID 70920343

IUPAC4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol
SMILESCCCCn1c2ccc(-c3ccc(O)cc3)cc2c2cc(-c3ccc(O)cc3)ccc21
InChIInChI=1S/C28H25NO2/c1-2-3-16-29-27-14-8-21(19-4-10-23(30)11-5-19)17-25(27)26-18-22(9-15-28(26)29)20-6-12-24(31)13-7-20/h4-15,17-18,30-31H,2-3,16H2,1H3
InChIKeyPJFDBRKGBWJTJS-UHFFFAOYSA-N
MW407.51 g/mol
LogP7.34
Rot. Bonds5

About 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol

4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol (PubChem CID 70920343) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol.

Molecular Properties

Compound Name4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol
PubChem CID70920343
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC Name4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol
SMILESCCCCn1c2ccc(-c3ccc(O)cc3)cc2c2cc(-c3ccc(O)cc3)ccc21
InChIInChI=1S/C28H25NO2/c1-2-3-16-29-27-14-8-21(19-4-10-23(30)11-5-19)17-25(27)26-18-22(9-15-28(26)29)20-6-12-24(31)13-7-20/h4-15,17-18,30-31H,2-3,16H2,1H3
InChIKeyPJFDBRKGBWJTJS-UHFFFAOYSA-N
XLogP7.34
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol?
The IUPAC name of 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol (CID 70920343) is 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol.
What is the SMILES notation for 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol?
The canonical SMILES for 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol is CCCCn1c2ccc(-c3ccc(O)cc3)cc2c2cc(-c3ccc(O)cc3)ccc21.
What is the InChIKey of 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol?
The InChIKey is PJFDBRKGBWJTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c1-2-3-16-29-27-14-8-21(19-4-10-23(30)11-5-19)17-25(27)26-18-22(9-15-28(26)29)20-6-12-24(31)13-7-20/h4-15,17-18,30-31H,2-3,16H2,1H3.
What are the key properties of 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol?
4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol has a molecular weight of 407.51 g/mol, XLogP of 7.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-butyl-6-(4-hydroxyphenyl)carbazol-3-yl]phenol is sourced from PubChem (CID 70920343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).