1,4-di(carbazol-9-yl)butane-2,3-diol

C28H24N2O2 — CID 70688511

IUPAC1,4-di(carbazol-9-yl)butane-2,3-diol
SMILESOC(Cn1c2ccccc2c2ccccc21)C(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C28H24N2O2/c31-27(17-29-23-13-5-1-9-19(23)20-10-2-6-14-24(20)29)28(32)18-30-25-15-7-3-11-21(25)22-12-4-8-16-26(22)30/h1-16,27-28,31-32H,17-18H2
InChIKeyJFZFGPGRUNJFHN-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.32
Rot. Bonds5

About 1,4-di(carbazol-9-yl)butane-2,3-diol

1,4-di(carbazol-9-yl)butane-2,3-diol (PubChem CID 70688511) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1,4-di(carbazol-9-yl)butane-2,3-diol.

Molecular Properties

Compound Name1,4-di(carbazol-9-yl)butane-2,3-diol
PubChem CID70688511
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name1,4-di(carbazol-9-yl)butane-2,3-diol
SMILESOC(Cn1c2ccccc2c2ccccc21)C(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C28H24N2O2/c31-27(17-29-23-13-5-1-9-19(23)20-10-2-6-14-24(20)29)28(32)18-30-25-15-7-3-11-21(25)22-12-4-8-16-26(22)30/h1-16,27-28,31-32H,17-18H2
InChIKeyJFZFGPGRUNJFHN-UHFFFAOYSA-N
XLogP5.32
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(carbazol-9-yl)butane-2,3-diol?
The IUPAC name of 1,4-di(carbazol-9-yl)butane-2,3-diol (CID 70688511) is 1,4-di(carbazol-9-yl)butane-2,3-diol.
What is the SMILES notation for 1,4-di(carbazol-9-yl)butane-2,3-diol?
The canonical SMILES for 1,4-di(carbazol-9-yl)butane-2,3-diol is OC(Cn1c2ccccc2c2ccccc21)C(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1,4-di(carbazol-9-yl)butane-2,3-diol?
The InChIKey is JFZFGPGRUNJFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-27(17-29-23-13-5-1-9-19(23)20-10-2-6-14-24(20)29)28(32)18-30-25-15-7-3-11-21(25)22-12-4-8-16-26(22)30/h1-16,27-28,31-32H,17-18H2.
What are the key properties of 1,4-di(carbazol-9-yl)butane-2,3-diol?
1,4-di(carbazol-9-yl)butane-2,3-diol has a molecular weight of 420.51 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(carbazol-9-yl)butane-2,3-diol is sourced from PubChem (CID 70688511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).